Chlormadinone-17-acetate 3 beta-hemisuccinate
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Basic information
- CAS
93485-63-3- Standard SMILES
CC(=O)[C@@]1(OC(=O)CCC(=O)O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
DLINLUOLQQDIML-HEQZKXBESA-N- Molecular formula
- C25H33ClO6
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1965665
Overview
structure given in first source
Names & identifiers
- Preferred name
- Chlormadinone-17-acetate 3 beta-hemisuccinate
- IUPAC
- 4-[[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid
- English name
- Cma-succinate
- Molecular formula
- C25H33ClO6
- Molecular weight
- 464.98
Names & synonyms
Pregna-4,6-dien-20-one, 17-(3-carboxy-1-oxopropoxy)-6-chloro-3-hydroxy-, (3beta)-RefChem:918460Chlormadinone-17-acetate 3 Beta-hemisuccinate93485-63-3Cma-succinateChlormadinone-17-acetate 3beta-hemisuccinateDTXSID709184014-[(6-Chloro-3-hydroxy-20-oxopregna-4,6-dien-17-yl)oxy]-4-oxobutanoic acid4-[(6-Chloro-3beta-hydroxy-20-oxopregna-4,6-dien-17-yl)oxy]-4-oxobutanoic acid
Database identifiers
- CAS
93485-63-3- PubChem CID
- 146433
- DTXSID
DTXSID70918401
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 908
Physicochemical properties
- Boiling point
- 633.144 · 633.144±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.306 · 1.306±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.401 · 4.401±0.17(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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