Dutasteride–13C6

cas: 1217685-27-2 — see every product listed under this CAS number, including other names

Dutasteride–13C6 (CAS 1217685-27-2) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 500μg. Offered by: GLPBio.

brandGLPBio
catalog numberGC43579-1
cas1217685-27-2
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 6340.01 Pln
GLPBio 500μg 3531.71 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(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 (CAS 1217685-27-2) is a chemical compound with the molecular formula C27H30F6N2O2 and a molecular weight of 534.5 g/mol. IUPAC name: (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. InChIKey: JWJOTENAMICLJG-JADBXJRRSA-N.

Identity
Molecular formulaC27H30F6N2O2
Molecular weight534.5 g/mol
IUPAC name(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
InChIKeyJWJOTENAMICLJG-JADBXJRRSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)N[13C]4=[13C]([13CH]=[13CH][13C](=[13CH]4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C

Computed by PubChem (NCBI)

Synonyms: Dutasteride-13C6, Dutasteride-(1)(3)C6, JWJOTENAMICLJG-JADBXJRRSA-N
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,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 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
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-13C6 TRC CAS 1217685-27-2