11alpha-Bromoacetoxyprogesterone
Basic information
- CAS
36049-50-0- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CBr)C[C@]12C- InChIKey
NKQNWVOTGFLIDE-TZEHSYAMSA-N- Molecular formula
- C23H31BrO4
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 450.14057
Names & identifiers
- Preferred name
- 11alpha-Bromoacetoxyprogesterone
- IUPAC
- [(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 2-bromoacetate
- English name
- 11 alpha-bromoacetoxyprogesterone
- Molecular weight
- 0
Names & synonyms
11alpha-Bromoacetoxyprogesterone36049-50-011-alpha-(Bromoacetoxy)progesteroneCGP 10945BRN 2020016(11-alpha)-11-((Bromoacetyl)oxy)pregn-4-ene-3,20-dione[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 2-bromoacetateSCHEMBL6998159CHEMBL3247090DTXSID90957458Pregn-4-ene-3,20-dione, 11-((bromoacetyl)oxy)-, (11-alpha)-3,20-Dioxopregn-4-en-11-yl bromoacetate
Show more names
CGP-1094511 alpha-bromoacetoxyprogesterone11α-[(Bromoacetyl)oxy]pregn-4-ene-3,20-dione
3,20-Dioxopregn-4-en-11alpha-yl bromoacetate
Database identifiers
- CAS
36049-50-0- PubChem CID
- 160258
- DTXSID
DTXSID90957458- ChEMBL
CHEMBL3247090- Nikkaji
- J67.035I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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