Basic information
- CAS
97433-82-4- Standard SMILES
Cc1ccccc1Nc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1- InChIKey
UTUYYDWIOLHCAI-APKWJLQYSA-N- Molecular formula
- C29H36N2O2S
- Average molar mass
- 476.7 g/mol
- Monoisotopic mass
- 476.24974957
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-alpha-hydroxy-17-beta-(2-(o-toluidino)-4-thiazolyl)
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(2-methylanilino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
BRN 540597517-alpha-Hydroxy-17-beta-(2-(o-toluidino)-4-thiazolyl)androst-4-en-3-one97433-82-4ANDROST-4-EN-3-ONE, 17-alpha-HYDROXY-17-beta-(2-(o-TOLUIDINO)-4-THIAZOLYL)RefChem:319516DTXSID5091391917-Hydroxy-17-{2-[(2-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-en-3-one17alpha-Hydroxy-17beta-{2-[(2-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-en-3-one
Database identifiers
- CAS
97433-82-4- PubChem CID
- 57237
- DTXSID
DTXSID50913919
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 861
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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