Basic information
- CAS
360-66-7- Standard SMILES
C[C@]12Cc3conc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
NSYTUNFHWYMMHU-IYRCEVNGSA-N- Molecular formula
- C21H31NO2
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.23547923
Overview
Androisoxazole is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- Androisoxazole
- IUPAC
- (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6-oxa-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
- English name
- Androisoxazole
- Molecular formula
- C21H31NO2
- Molecular weight
- 329.48
Names & synonyms
AndroisoxazoleAndroxanNeo-ponden360-66-7Androisossazolo [Italian]AndroisossazoloUNII-6WRG30P3CG6WRG30P3CG17-Methylandrostano(3,2-c)isoxazol-17-ol17-Methyl-5alpha-androstano(3,2-c)isoxazol-17beta-olANDROISOXAZOLE [MI]17-alpha-Methylandrostan(3,2-c)isoxazol-17-beta-ol
Show more names
NSYTUNFHWYMMHU-IYRCEVNGSA-N17α-Methyl-5α-androstano[3,2-c]isoxazol-17β-ol
17-beta-Hydroxy-17-alpha-methylandrostano(3,2-c)isoxazole17-beta-Idrossi-17-alpha-metilandrostan(3,2-c)isossazolo [Italian]17-beta-Idrossi-17-alpha-metilandrostan(3,2-c)isossazolo5-alpha-ANDROSTANO(3,2-c)ISOXAZOL-17-beta-OL, 17-METHYL-17.BETA.-HYDROXY-17.ALPHA.-METHYLANDROSTANO(3,2-C)ISOXAZOLE(5.ALPHA.,17.BETA.)-17-METHYLANDROSTANO(3,2-C)ISOXAZOL-17-OLRefChem:11261217-.alpha.-Methylandrostan(3,2-c)isoxazol-17-.beta.-ol
Database identifiers
- CAS
360-66-7- PubChem CID
- 9676
- DTXSID
DTXSID40957423- ChEMBL
CHEMBL330669- ChEBI
CHEBI:135407- UNII
- 6WRG30P3CG
- Nikkaji
- J61.641I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Melting point
- 169 · 169-170°
- alpha
- 19 ° · D +19°
- Boiling point
- 458 · 458.0±45.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 15.15 · 15.15±0.60(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 WRG30P3CG · 6WRG30P3CG
Chemistry & industry
Applications
UsesLabelled Androisoxazole (A637400). Androisoxazole is a drug which acts as an anabolic steroid, related to Stanozolol (S684500).
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: Androisoxazole is a steroid. It derives from a hydride of an estrane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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