Basic information
- CAS
600-59-9- Standard SMILES
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C- InChIKey
DUHUCHOQIDJXAT-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
Overview
See also: Alphaxalone (annotation moved to).
Names & identifiers
- Preferred name
- 3-Hydroxypregnane-11,20-dione
- IUPAC
- 17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
- English name
- 3-beta-hydroxy-5-alpha-pregnane-11,20-dione
- Molecular formula
- C21H32O3
- Molecular weight
- 332.48
Names & synonyms
3-Hydroxypregnane-11,20-dioneMLS002694508Saffan (Salt/Mix)Althesin (Salt/Mix)Alphadione (Salt/Mix)3.alpha.-Hydroxy-5.alpha.-pregnane-11,20-dioneALFAXALONE, RenanoloneNCIOpen2_008980NCIOpen2_009096CT-1341 (Salt/Mix)SCHEMBL2111685DUHUCHOQIDJXAT-UHFFFAOYSA-N
Show more names
BetaxaloneEinecs 209-996-35alpha-Pregnane-11,20-dione, 3beta-hydroxy-3-beta-hydroxy-5-alpha-pregnane-11,20-dione
HMS3089G16IDA01468NSC82861NSC-82861SMR0015505095.alpha.-Pregnane-11, 3.beta.-hydroxy-NS000433255.alpha.-Pregnan-3.alpha.-ol-11,20-dione
Database identifiers
- CAS
600-59-9- PubChem CID
- 256278
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
湖南唯美胜科技有限公司13574065797 18072509156 · [email protected]
Related reactions
4 records
Compound notes
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