Basic information
- CAS
96112-86-6- Standard SMILES
CCCCNc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1- InChIKey
COTSXCQMTTXIGN-MTVQHZRTSA-N- Molecular formula
- C26H38N2O2S
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.26539963
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(butylamino)-4-thiazolyl)-17-alpha-hydroxy-
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-[2-(butylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
17-beta-(2-(Butylamino)-4-thiazolyl)-17-alpha-hydroxy-androst-4-en-3-one96112-86-6ANDROST-4-EN-3-ONE, 17-beta-(2-(BUTYLAMINO)-4-THIAZOLYL)-17-alpha-HYDROXY-RefChem:319519DTXSID2091465517-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17-hydroxyandrost-4-en-3-one17beta-[2-(Butylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17alpha-hydroxyandrost-4-en-3-one
Database identifiers
- CAS
96112-86-6- PubChem CID
- 57017
- DTXSID
DTXSID20914655
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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