Hydromadinone
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Basic information
- CAS
16469-74-2- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
IMUIZZGKYILUHZ-SCUQKFFVSA-N- Molecular formula
- C21H29ClO3
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.1805225
Overview
Hydromadinone is a small molecule drug. Hydromadinone has a monoisotopic molecular weight of 364.18 Da.
Names & identifiers
- Preferred name
- Hydromadinone
- IUPAC
- (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- Hydromadinone
- Molecular formula
- C21H29ClO3
- Molecular weight
- 364.91
Names & synonyms
Hydromadinone16469-74-2Hydromadinone [INN](6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one3E4M0PPR7JHydromadinonHydromadinonaHydromadinonumUNII-3E4M0PPR7JHidromadinona6alpha-Chlor-17-hydroxy-4-pregnen-3,20-dionSCHEMBL2109681
Show more names
6α-Chloro-17-hydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 6-chloro-17-hydroxy-, (6α)-(6S,8R,9S,10R,13S,14S,17R)-6-chloro-17-ethanoyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CHEMBL2104256DTXSID1010321046alpha-Chloro-17-hydroxyprogesteroneNS001222686.ALPHA.-CHLORO-17-HYDROXYPROGESTERONEQ19597540(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-chloro-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Boiling point
- 513.6 · 513.6±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 12.9 · 12.90±0.70(Predicted)
- FDA UNII
- 3 E4M0PPR7J · 3E4M0PPR7J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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