5-beta-Dutasteride

cas: 957229-52-6 — see every product listed under this CAS number, including other names

5-beta-Dutasteride (CAS 957229-52-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULD355
cas957229-52-6
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Structural formula: {0} (CAS {1})

(1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (CAS 957229-52-6) is a chemical compound with the molecular formula C27H30F6N2O2 and a molecular weight of 528.5 g/mol. IUPAC name: (1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide. InChIKey: JWJOTENAMICLJG-LKOHVCGWSA-N.

Identity
Molecular formulaC27H30F6N2O2
Molecular weight528.5 g/mol
IUPAC name(1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
InChIKeyJWJOTENAMICLJG-LKOHVCGWSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@H]5[C@@]3(C=CC(=O)N5)C

Computed by PubChem (NCBI)

Synonyms: 5-Beta-Dutasteride, 5beta-Dutasteride, 5|A-?Dutasteride, 5b-Dutasteride, 5|A-Dutasteride, 5??-?Dutasteride, 5|A-Dutasteride Impurity, orb1710535
Related forms of this compound
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-[2,4,5-trideuterio-3,6-bis(trifluoromethyl)phenyl]-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2
(1R,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2
(1R,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2
Isomers (same molecular formula)
(1S,3aS,3bS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide C27H30F6N2O2

Also listed as

Dutasteride Impurity 2 Hubei YoungXin CAS 957229-52-6
5Beta-Dutasteride, >95% (HPLC) TRC CAS 957229-52-6
5β–Dutasteride GLPBio CAS 957229-52-6
5β-​Dutasteride Biosynth CAS 957229-52-6
5β-​Dutasteride MedChemExpress CAS 957229-52-6