Basic information
- CAS
905-30-6- Standard SMILES
C[C@]12CCC(N3CCCC3)=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
RYMKCRPGXRRYQV-CWMMHYCISA-N- Molecular formula
- C23H33NO
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.25621468
Names & identifiers
- Preferred name
- Androsta-3,5-dien-17-one, 3-(1-pyrrolidinyl)-
- IUPAC
- (8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
- English name
- 3-pyrrolidin-1-ylandrosta-3,5-dien-17-one
- Molecular formula
- C23H33NO
- Molecular weight
- 339.51422
Names & synonyms
905-30-6Androsta-3,5-dien-17-one, 3-(1-pyrrolidinyl)-RefChem:1076985212-994-53-(1-Pyrrolidinyl)androsta-3,5-dien-17-oneAndrostenedione enamine3-Pyrrolidin-1-ylandrosta-3,5-dien-17-oneEINECS 212-994-5SCHEMBL11326365DTXSID20920357NS000419693-(pyrrolidin-1-yl)androsta-3,5-dien-17-one
Show more names
ANDROSTENEDIONEENAMINEAndrosta-3,5-dien-17-one,3-(1-pyrrolidinyl)- (6CI,7CI,8CI,9CI)(8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
Database identifiers
- CAS
905-30-6- PubChem CID
- 101900
- DTXSID
DTXSID20920357- EC Number
- 212-994-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 475.47 °C · 475.47°C (rough estimate)
- Density
- 1.0125 · 1.0125 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
2 records
Compound notes
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