17-(Carbamoylhydrazono)androst-5-en-3I(2)-yl acetate
Basic information
- CAS
983-28-8- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=NNC(N)=O)CC[C@@H]32)C1- InChIKey
CDZFBBLHHNZLCF-CSOYKPOESA-N- Molecular formula
- C22H33N3O3
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.25219192
Names & identifiers
- Preferred name
- 17-(Carbamoylhydrazono)androst-5-en-3I(2)-yl acetate
- IUPAC
- [(3S,8R,9S,10R,13S,14S)-17-(carbamoylhydrazinylidene)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
983-28-8DTXSID2043018817-(Carbamoylhydrazono)androst-5-en-3I(2)-yl acetate17-(2-Carbamoylhydrazinylidene)androst-5-en-3beta-yl acetate
Database identifiers
- CAS
983-28-8- PubChem CID
- 256283
- DTXSID
DTXSID20430188
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 745
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Compound notes
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