Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 126
O
O
O
N
URL
#LINK:http://en.wikipedia.org/wiki/Acetoxyketobemidone
Name
Acetoxyketobemidone
IUPAC Name
SMILES
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
17
23
3
FW
289.3694
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
Structure checked with:
Common Names
Acetoxyketobemidone; O-Acetylketobemidone
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 127
-
O
O
+
N
O
O
URL
#LINK:http://en.wikipedia.org/wiki/Acetylcarnitine
Name
Acetylcarnitine
IUPAC Name
(3R)-3-acetoxy-4-(trimethylammonio)butanoate
SMILES
O=C(C)O[C@H](CC([O-])=O)C[N+](C)(C)C
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
9
17
4
FW
203.2356
CAS Number
YES
Flash Point
Aqueous Solubility
14992-62-2
Comments
Stereo missing on structure,
Structure checked with:
Common Names
ALCAR
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 128
H3C
N
H3C
+
CH3
O
CH3
O
URL
#LINK:http://en.wikipedia.org/wiki/Acetylcholine
Name
Acetylcholine
IUPAC Name
2-acetoxy-N,N,N-trimethylethanaminium
SMILES
C[N+](C)(C)CCOC(=O)C
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
7
16
2
FW
146.2069
CAS Number
YES
Flash Point
Aqueous Solubility
51-84-3
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 129
SH
O
OH
NH
O
URL
#LINK:http://en.wikipedia.org/wiki/Acetylcysteine
Name
Acetylcysteine
IUPAC Name
(2R)-2-acetamido-3-mercaptopropanoic acid
SMILES
CC(=O)N[C@@H](CS)C(O)=O
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO S
5
9
3
FW
163.1949
CAS Number
YES
Flash Point
Aqueous Solubility
616-91-1
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 130
N
H
O
O
O
H
O
URL
#LINK:http://en.wikipedia.org/wiki/Acetyldihydrocodeine
Name
Acetyldihydrocodeine
IUPAC Name
1,13 .05,17 .07,18 ]octadeca-7(18),8,10-trien-14-yl acetate
(1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0
SMILES
CC(=O)O[C@H]1CC[C@H]5C2Cc3ccc(OC)c4O[C@@H]1[C@]5(CC[N@]2C)c34
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
20
25
4
FW
343.4168
CAS Number
YES
Flash Point
Aqueous Solubility
3861-72-1
Comments
Structure checked with:
Common Names
Acetyldihydrocodeine; Dihydrothebacone; 6-acetyl-7,8-dihydrocodeine
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 131
CH3
N
H
O
O
O
H
O
H3C
URL
#LINK:http://en.wikipedia.org/wiki/Acetylmorphone
Name
Acetylmorphone
IUPAC Name
1,13 .05,17 .07,18 ]octadeca-7(18),8,10-trien-10-yl acetate
(1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0
SMILES
CC(=O)Oc4ccc5C[C@H]1[N@](C)CC[C@@]23c5c4O[C@H]3C(=O)CC[C@@H]12
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
19
21
4
FW
327.3743
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 132
O
N
HN
H2N
N
OH
N
O
URL
#LINK:http://en.wikipedia.org/wiki/Aciclovir
Name
Aciclovir
IUPAC Name
2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6
H-purin-6-one
SMILES
NC2=Nc1c(ncn1COCCO)C(=O)N2
Formula
Melting Point (oC)
CH NO
256
8
11
5
3
FW
Optical Rotation (degrees)
Appearance
Density g/cm3
Boiling Point (C)
Validated Checkbox
225.2046
CAS Number
YES
Flash Point
Aqueous Solubility
59277-89-3
Comments
Needs a proper structure representation rather than just a 3D image
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 133
O
N
H3C
N
O
OH
+
-
URL
#LINK:http://en.wikipedia.org/wiki/Acipimox
Name
Acipimox
IUPAC Name
5-methylpyrazine-2-carboxylic acid 4-oxide
SMILES
[O-][n+]1cc(ncc1C)C(O)=O
Formula
CHNO
6
6
2
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
3
FW
154.1234
CAS Number
YES
Flash Point
Aqueous Solubility
51037-30-0
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 134
CH3
CH3
CH3
O
H3C
H3C
OH
O
CH3
URL
#LINK:http://en.wikipedia.org/wiki/Acitretin
Name
Acitretin
IUPAC Name
(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILES
Cc1c(C)c(/C=CC(\C)=C\C=C\C(\C)=C\C(=O)O)c(C)cc1OC
Formula
C H O
21
26
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
3
FW
326.4293
CAS Number
YES
Flash Point
Aqueous Solubility
55079-83-9
Comments
Structure checked with:
Common Names
Soriatane
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 135
H3C
CH3
HCl
H2N
NH2
N
URL
#LINK:http://en.wikipedia.org/wiki/Acridine yellow
Name
Acridine yellow
IUPAC Name
2,7-dimethylacridine-3,6-diamine hydrochloride
SMILES
Cl.Nc1cc2nc3cc(N)c(C)cc3cc2cc1C
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H ClN
15
16
3
FW
273.7606 (237.2997+36.4609)
CAS Number
YES
Flash Point
Aqueous Solubility
92-26-2
Comments
Should the structure have an HCl association in the structure? I believe the CAS might
be...
Structure checked with:
Common Names
Acridine yellow G; Acridine yellow H107; Basic Yellow K; 2,7-Dimethylproflavine
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 136
H2 N
N
+
CH3
H2 N
N
NH2
Cl
-
NH2
URL
#LINK:http://en.wikipedia.org/wiki/Acriflavine
Name
Acriflavine
IUPAC Name
3,6-diamino-10-methylacridinium chloride - acridine-3,6-diamine (1:1)
SMILES
[Cl-].C[n+]1c3cc(N)ccc3cc2ccc(N)cc12.Nc1cc2nc3cc(N)ccc3cc2cc1
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H ClN
27
25
6
FW
468.9806 (224.2805+209.2465...
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
I drew both the neutral and the salt....which one should we keep?
Structure checked with:
Common Names
Needs new ChemBox
Yes
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 137
N
HO
NH2
H3C
OH
URL
#LINK:http://en.wikipedia.org/wiki/Acrisorcin
Name
Acrisorcin
IUPAC Name
SMILES
Formula
C H NO
25
28
2
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
2
FW
388.5020 (194.2319+194.2701)
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
There are no structures for this record...I suggest the combination of the two shown
Structure checked with:
Common Names
Needs new ChemBox
Yes
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 138
N
H
O
N
OH
H3C
URL
#LINK:http://en.wikipedia.org/wiki/Acrivastine
Name
Acrivastine
IUPAC Name
(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}acrylic acid
SMILES
O=C(O)/C=C/c1cccc(n1)\C(=C\CN2CCCC2)c3ccc(C)cc3
Formula
C H NO
22
24
2
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
2
FW
348.4382
CAS Number
YES
Flash Point
Aqueous Solubility
87848-99-5
Comments
Structure checked with:
Common Names
Needs new ChemBox
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 139
O
OH
HO
O
O
OH
CH3
HO
N
O
N
URL
#LINK:http://en.wikipedia.org/wiki/Actiq
Name
Actiq
IUPAC Name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide 2-hydroxypropane-1,2,3-tricarboxylate (salt)
SMILES
O=C(O)C(O)(CC(=O)O)CC(=O)O.CCC(=O)N(C2CCN(CCc1ccccc1)CC2)c3ccccc3
Formula
C H NO
28
36
2
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
8
FW
528.5940 (336.4705+192.1235)
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
No structure is shown...the suggested structure is above
Structure checked with:
Common Names
Fentanyl citrate
Needs new ChemBox
Yes
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 140
O
CH3
O
CH3
CH
H
H
H
H
O
CH3
OH
H
H
H
HO
URL
#LINK:http://en.wikipedia.org/wiki/Activella
Name
Activella
IUPAC Name
(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1
H-cyclopenta[a]phenanthren-17-yl acetate - (8
R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-deca
SMILES
CC(=O)O[C@@]3(C#C)CC[C@H]2[C@@H]4CCC1=CC(=O)CC[C@@H]1[C@H]4CC[C@@]23C.Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3
Formula
C H O
40
52
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
5
FW
612.8379 (340.4559+272.3820)
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
No structrues are shown
Structure checked with:
Common Names
estradiol and norethindrone acetate (2:1 by weight)
Needs new ChemBox
Yes
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 141
O
OH
H3 C
O
URL
#LINK:http://en.wikipedia.org/wiki/Adapalene
Name
Adapalene
IUPAC Name
6-[3-(adamantan-1-yl)-4-methoxyphenyl]-2-naphthoic acid
SMILES
O=C(O)c1ccc2cc(ccc2c1)c3cc(c(OC)cc3)C46CC5CC(CC(C4)C5)C6
Formula
C H O
28
28
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
3
FW
412.5201
CAS Number
YES
Flash Point
Aqueous Solubility
106685-40-9
Comments
Structure checked with:
Common Names
Differin; Adaferin
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 142
CH3
NH2
URL
#LINK:http://en.wikipedia.org/wiki/Adderall
Name
Adderall
IUPAC Name
1-phenylpropan-2-amine
SMILES
NC(C)Cc1ccccc1
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
CH N
9
13
FW
135.2062
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
No structure shown
Structure checked with:
Common Names
Needs new ChemBox
Yes
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 143
NH2
N
N
O
HO
HO
N
P
N
O
URL
#LINK:http://en.wikipedia.org/wiki/Adefovir
Name
Adefovir
IUPAC Name
{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
SMILES
O=P(O)(O)COCCn2cnc1c(N)ncnc12
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
CH NOP
8
12
5
4
FW
273.1857
CAS Number
YES
Flash Point
Aqueous Solubility
142340-99-6
Comments
Structure checked with:
Common Names
Adefovir dipivoxil; bis-POM PMEA; Preveon; Hepsera
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 144
NH2
N
N
N
N
H
URL
#LINK:http://en.wikipedia.org/wiki/Adenine
Name
Adenine
IUPAC Name
adenine
SMILES
Nc1ncnc2ncnc12
Formula
Melting Point (oC)
CHN
360-365
FW
Optical Rotation (degrees)
5
5
5
Appearance
Density g/cm3
Boiling Point (C)
Validated Checkbox
135.1267
CAS Number
YES
Flash Point
Aqueous Solubility
73-24-5
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 145
NH2
N
N
N
N
O
OH
OH
OH
URL
#LINK:http://en.wikipedia.org/wiki/Adenosine
Name
Adenosine
IUPAC Name
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES
Nc3ncnc2c3ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Formula
C H NO
10
13
5
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
4
FW
267.2413
CAS Number
YES
Flash Point
Aqueous Solubility
58-61-7
Comments
No stereo shown in the structure - needs dashed and wedge bonds. Check the naming...
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 146
NH 2
N
H3 C
N
N
+
C H3
S
O
HO
O
P
O
O
P
O
HO
OH
P
O
O
O
HO
N
HO
N
N
N
NH 2
URL
#LINK:http://en.wikipedia.org/wiki/Adenosine thiamine triphosphate
Name
Adenosine thiamine triphosphate
IUPAC Name
SMILES
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO PS
22
31
9
13
3
FW
754.5198
CAS Number
YES
Flash Point
Aqueous Solubility
Comments
Should the Wiki structure be neutral or charged? Change Mw based on answer
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 147
H3 C
N
CH3
N
N
N
Cl
N
URL
#LINK:http://en.wikipedia.org/wiki/Adinazolam
Name
Adinazolam
IUPAC Name
1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
SMILES
CN(C)Cc3nnc2CN=C(c1cc(Cl)ccc1n23)c4ccccc4
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H ClN
19
18
5
FW
351.8327
CAS Number
YES
Flash Point
Aqueous Solubility
37115-32-5
Comments
Edit structures to standarize aromatic rings to single/double bonds
Structure checked with:
Common Names
Deracyn
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 148
O
HO
NH
O
S
URL
#LINK:http://en.wikipedia.org/wiki/Adrafinil
Name
Adrafinil
IUPAC Name
2-[(diphenylmethyl)sulfinyl]-N-hydroxyacetamide
SMILES
O=S(CC(=O)NO)C(c1ccccc1)c2ccccc2
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO S
15
15
3
FW
289.3495
CAS Number
YES
Flash Point
Aqueous Solubility
63547-13-7
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 149
HO
HO
NH
CH3
O
URL
#LINK:http://en.wikipedia.org/wiki/Adrenalone
Name
Adrenalone
IUPAC Name
1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
SMILES
Oc1ccc(cc1O)C(=O)CNC
Formula
Melting Point (oC)
Appearance
Density g/cm3
Optical Rotation (degrees)
Boiling Point (C)
Validated Checkbox
C H NO
9
11
3
FW
181.1885
CAS Number
YES
Flash Point
Aqueous Solubility
99-45-6
Comments
Structure checked with:
Common Names
Needs new ChemBox
No
Database: D:\MY DOCUMENTS\CHEMSPIDER\COLLABORATIVE DOCUMENTS\MARTIN WALKER\WIKIPEDIA DETAILS\MERGED DRUGS AND
CHEMICALS FILES 012008.CFD, Record ID: 150
CH3
O
CH3
H
O
H
H
O
URL
#LINK:http://en.wikipedia.org/wiki/Adrenosterone
Name
Adrenosterone
IUPAC Name
(8S,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,10,12,13,14,15,16-decahydro-1
H-cyclopenta[a]phenanthrene-3,11,17(2H)-trione
SMILES
O=C2CC[C@H]3[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4C(=O)C[C@]23C
Formula
Melting Point (oC)
C H O
222
19
24
3
FW
Optical Rotation (degrees)
Appearance
Density g/cm3
Boiling Point (C)
Validated Checkbox
300.3921
CAS Number
YES
Flash Point
Aqueous Solubility
382-45-6
Comments
Structure checked with:
Common Names
Needs new ChemBox
No