Basic information
- CAS
107000-34-0- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
MHDDZDPNIDVLNK-ZGIWMXSJSA-N- Molecular formula
- C23H32N2O3S
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.21336406
Overview
Zanoterone is a steroid. It derives from a hydride of an estrane.
Names & identifiers
- Preferred name
- Zanoterone
- IUPAC
- (1S,2S,10S,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-6-methylsulfonyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
- English name
- Zanoterone
- Molecular formula
- C23H32N2O3S
- Molecular weight
- 416.58
Names & synonyms
ZANOTERONE107000-34-0Win 49,596ZanoteronaXQ5V1W49JGWIN-49596DTXSID501478731'-(methylsulfonyl)-1'-H-pregn-20-yno-(3,2-c)pyrazole-17-ol1'H-Pregn-20-yno(3,2-c)pyrazol-17-ol, 1'-(methylsulfonyl)-, (5alpha,17alpha)-zanoteronumRefChem:934485DTXCID0070364
Show more names
17-Ethynyl-1'-methylsulfonyl-1'H-5α-androstano[3,2-c]pyrazole-17β-ol1'H-Pregn-20-yno[3,2-c]pyrazol-17-ol, 1'-(methylsulfonyl)-, (5α,17α)-17-Ethynyl-1'-(methylsulfonyl)-1'H-5α-androstano[3,2-c]pyrazole-17β-ol17α-Ethynyl-1'-methylsulfonyl-1'H-5α-androsta-2-eno[3,2-c]pyrazole-17-ol
1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-7,8-diaza-dicyclopenta(a,h)phenanthren-1-ol(1S,2S,10S,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-6-methylsulfonyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-olZanoterone (USAN/INN)Zanoterone [USAN:INN]UNII-XQ5V1W49JGZANOTERONE [INN]ZANOTERONE [USAN]win49596
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 859
Physicochemical properties
- Melting point
- 200 · 200-202 °C(Solv: acetonitrile (75-05-8))
- Boiling point
- 564 · 564.0±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.60(Predicted)
- FDA UNII
- 5 V1W49JG · XQ5V1W49JG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAnti-androgen.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Zanoterone 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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