Basic information
- CAS
1365545-48-7- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(=O)[nH]c4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F- InChIKey
CTNHFYMGIWYKRI-HUFDCIJMSA-N- Molecular formula
- C26H26F6N2O2
- Average molar mass
- 512.5 g/mol
- Monoisotopic mass
- 512.18984705
Names & identifiers
- Preferred name
- (1S,3aS,3bS,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-11a-methyl-7-oxo-2,3,3a,3b,4,5,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
- IUPAC
- (1S,3aS,3bS,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-11a-methyl-7-oxo-2,3,3a,3b,4,5,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
- English name
- Dutasteride IMpurity L
- Molecular formula
- C26H26F6N2O2
- Molecular weight
- 512.49
Names & synonyms
DTXSID5011001131365545-48-7(4bS,6aS,7S,9aS,9bS)-N-[2,5-Bis(trifluoromethyl)phenyl]-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-6a-methyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamideDutasteride IMpurity LDutasteride Impuriy LDutasteride Impurity 191H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-6a-methyl-2-oxo-, (4bS,6aS,7S,9aS,9bS)-
Database identifiers
- CAS
1365545-48-7- PubChem CID
- 165366367
- DTXSID
DTXSID501100113
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 986
Physicochemical properties
- Boiling point
- 653.8 · 653.8±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.60(Predicted)
Chemistry & industry
Applications
Uses(4bS,6aS,7S,9aS,9bS)-N-[2,5-Bis(trifluoromethyl)phenyl]-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-6a-methyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide, is an impurity of Dutasteride (D735000), used in the treatment of benign prostatic hyperplasia.
Suppliers16 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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