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| CAS No.: | 571-22-2 |
|---|---|
| Name: | 5BETA-ANDROSTAN-17BETA-OL-3-ONE |
| Molecular Structure: | |
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| Formula: | C19H30 O2 |
| Molecular Weight: | 290.446 |
| Synonyms: | 5b-Androstan-3-one, 17b-hydroxy- (8CI); 17b-Hydroxy-5b-androstan-3-one; 17b-Hydroxyetiocholan-3-one; 5b,17b-Hydroxyandrostan-3-one; 5b-Androstan-17b-ol-3-one; 5b-Androstane-17b-ol-3-one; 5b-Dihydrotestosterone; NSC 15460; NSC 61692 |
| Density: | 1.085g/cm3 |
| Melting Point: | 143°C |
| Boiling Point: | 413.1°C at 760 mmHg |
| Flash Point: | 176.4°C |
| Risk Codes: | R45; R46; R61; R20/21/22 |
| Safety: | Questionable carcinogen with experimental neoplastigenic and teratogenic data. Human mutation data reported. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 37.30000 |
| LogP: | 3.95910 |
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Chemistry
Chemistry informtion about Androstan-3-one, 17-hydroxy-, (5-beta,17-beta)- (9CI)(CAS NO.571-22-2) is:
IUPAC Name: (5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Synonyms: (5-Beta,17-Beta)-17-Hydroxyandrostan-3-One ; 17-Beta-Hydroxy-5-Beta-Androstan-3-On ; 17-Hydroxy-,(5-Beta,17-Beta)-Androstan-3-On ; 5-Beta-Dht ; Etiocholane-17-Beta-Ol-3-One ; 17-Beta-Hydroxyetiocholan-3-One ; 17beta-Hydroxy-5beta-Androstan-3-One ; 5beta-Dihydrotestosterone
Molecular Weight: 290.4403 [g/mol]
Molecular Formula: C19H30O2
XLogP3: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Density: 1.085 g/cm3
Flash Point: 176.4 °C
Enthalpy of Vaporization: 76.93 kJ/mol
Boiling Point: 413.1 °C at 760 mmHg
Vapour Pressure: 1.5E-08 mmHg at 25°C
Following is the molecular structure of Androstan-3-one, 17-hydroxy-, (5-beta,17-beta)- (9CI)(CAS NO.571-22-2) is:
Toxicity Data With Reference
| 1. | dni-hmn:lym 50 µmol/L | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 146 (1974),401. |
Safety Profile
Safty information about Androstan-3-one, 17-hydroxy-, (5-beta,17-beta)- (9CI)(CAS NO.571-22-2) is:
Questionable carcinogen with experimental neoplastigenic and teratogenic data. Human mutation data reported. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:
T
Risk Statements:
R45:May cause cancer.
R46:May cause heritable genetic damage.
R61:May cause harm to the unborn child.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:
S53:Avoid exposure - obtain special instructions before use.
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany： 3
RTECS: BV8054000
Specification
Descriptors Computed from Structure about Androstan-3-one, 17-hydroxy-, (5-beta,17-beta)- (9CI)(CAS NO.571-22-2) is:
Canonical SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
Isomeric SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey: NVKAWKQGWWIWPM-MISPCMORSA-N