17-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one--hydrogen chloride (1/1)
Basic information
- CAS
27953-67-9- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)n1.Cl- InChIKey
ZQHZYHNEPYJQFD-FKZPCOKBSA-N- Molecular formula
- C22H31ClN2OS
- Average molar mass
- 407 g/mol
- Monoisotopic mass
- 406.1845625
Names & identifiers
- Preferred name
- 17-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one--hydrogen chloride (1/1)
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-(2-amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;hydrochloride
Names & synonyms
DTXSID9095064127953-67-917-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one--hydrogen chloride (1/1)RefChem:1057587DTXCID901378790Androst-4-en-3-one, 17beta-(2-amino-4-thiazolyl)-, monohydrochloride17-beta-(2-Amino-4-thiazolyl)androst-4-en-3-one hydrochlorideAndrost-4-en-3-one, 17-beta-(2-amino-4-thiazolyl)-, monohydrochloride17beta-(2-Imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one--hydrogen chloride (1/1)
Database identifiers
- CAS
27953-67-9- PubChem CID
- 214261
- DTXSID
DTXSID90950641
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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