Basic information
- CAS
1816-80-4- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
ICTXWOSKTZKFBH-ADDDSGAWSA-N- Molecular formula
- C21H29ClO2
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1856079
Names & identifiers
- Preferred name
- 16-alpha-Chloroprogesterone
- IUPAC
- (6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
1816-80-416-alpha-Chloroprogesterone16-alpha-Chloropregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 16-alpha-chloro-DTXSID109394536-Chloropregn-4-ene-3,20-dione6alpha-Chloropregn-4-ene-3,20-dione
Database identifiers
- CAS
1816-80-4- PubChem CID
- 200372
- DTXSID
DTXSID10939453
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…