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Basic information
- CAS
87952-98-5- Standard SMILES
CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12- InChIKey
CPHJTSJQUQZOLJ-ISIDMKFXSA-N- Molecular formula
- C25H30O4S
- Average molar mass
- 426.578 g/mol
- Monoisotopic mass
- 426.18648044
Names & identifiers
- Preferred name
- Mespirenone
- IUPAC
- S-[(2'S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9R)-4a,6a-Dimethyl-2,5'-dioxo-2,4b,5,6,6a,7a,8,8a,8b,8c,9,10-dodecahydro-4aH-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-oxolan]-9-yl] ethanethioate
- English name
- Mespirenone
- Molecular formula
- C25H30O4S
- Molecular weight
- 426.57
Names & synonyms
ZK 94679MespirenoneMespirenonaMespirenonum(7α,15α,16α,17α)-Mespirenonum [latin]Mespirenona [spanish]Mespirenone USP/EP/BP7alpha-Acetylthio-15beta,16beta-methylen-3-oxo-1,4-pregnadien-21,17beta-carbolacton(17S)-7α-(Acetylthio)-15α,16α-dihydro-17-hydroxy-3-oxo-3'H-cyclopropa[15,16]pregna-1,4,15-triene-21-carboxylic acid γ-lactone
Database identifiers
- CAS
87952-98-5- PubChem CID
- 65660
- DTXSID
DTXSID40868989- ChEMBL
CHEMBL1908314- UNII
- E91TME2I23
- Nikkaji
- J171.223C
Properties
Physicochemical properties
- Boiling point
- 614.253 · 614.253±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.302 · 1.302±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 91 TME2I23 · E91TME2I23
Chemistry & industry
Applications
UsesA new mineralocorticoid antagonist; has an inhibition effect on aldosterone-induced hypertension.
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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