Anagestone
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Basic information
- CAS
2740-52-5- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
GAIHSQSRHYQICG-DACBVQKSSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Overview
Anagestone is a small molecule drug. Anagestone has a monoisotopic molecular weight of 330.26 Da.
Names & identifiers
- Preferred name
- Anagestone
- IUPAC
- 1-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- English name
- Anagestone
- Molecular formula
- C22H34O2
- Molecular weight
- 330.5
Names & synonyms
AnagestoneAnagestonumAnagestona2740-52-5S8FB38IU3GDTXSID00104340517-Hydroxy-6alpha-methylpregn-4-en-20-oneRefChem:112506DTXCID40152594417-hydroxy-6 alpha-methylpregn-4-en-20-oneAnagestone [INN]Anagestonum [INN-Latin]
Show more names
Pregn-4-en-20-one, 17-hydroxy-6-methyl-, (6α)-
Anagestona [INN-Spanish]UNII-S8FB38IU3GANAGESTONE [MI]17-Hydroxy-6alpha-methyl-4-pregnen-20-onANAGESTONE [WHO-DD]1-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanoneSCHEMBL147582NS00121526
Database identifiers
- CAS
2740-52-5- PubChem CID
- 160650
- DTXSID
DTXSID001043405- UNII
- S8FB38IU3G
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Melting point
- 190 · 190-193°
- alpha
- 20 · D20 +51° (in chloroform)
- Boiling point
- 444.7 · 444.7±45.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.70(Predicted)
- FDA UNII
- 8 FB38IU3G · S8FB38IU3G
Chemistry & industry
Applications
UsesProgestin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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