Basic information
- CAS
1093-60-3- Standard SMILES
C[C@]12CC(C#N)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
WAYOXMHWDMAJDN-WDCLZLQXSA-N- Molecular formula
- C20H29NO
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.22491455
Names & identifiers
- Preferred name
- 17beta-Hydroxy-5alpha-androst-2-ene-2-carbonitrile
- IUPAC
- (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
- English name
- 17β-Hydroxy-5α-androst-2-ene-2-carbonitrile
- Molecular formula
- C20H29NO
- Molecular weight
- 299.45036
Names & synonyms
1093-60-317beta-Hydroxy-5alpha-androst-2-ene-2-carbonitrileI170X0F1RU5-alpha-ANDROST-2-ENE-2-CARBONITRILE, 17-beta-HYDROXY-BRN 21445142-Cyano-5-alpha-androst-2-en-17-beta-ol17-beta-Hydroxy-5-alpha-androst-2-ene-2-carbonitrile(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrileUNII-I170X0F1RUDTXSID7091109317-Hydroxyandrost-2-ene-2-carbonitrileDB-226169
Show more names
17β-Hydroxy-5α-androst-2-ene-2-carbonitrile
17.BETA.-HYDROXY-5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE5.ALPHA.-ANDROST-2-ENE-2-CARBONITRILE, 17.BETA.-HYDROXY-
Database identifiers
- CAS
1093-60-3- PubChem CID
- 14178
- DTXSID
DTXSID70911093- UNII
- I170X0F1RU
- Nikkaji
- J58.240I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- FDA UNII
- 170 X0F1RU · I170X0F1RU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…