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Dutasteride-[13C6]

General Information
Catalog: BLP-012331
CAS: 1217685-27-2
Molecular Formula: C21[13C]6H30F6N2O2
Molecular Weight: 534.49
Chemical Structure
Dutasteride-[13C6]
Description Dutasteride-[13C6] is the labelled analogue of Dutasteride. Dutasteride is a triple 5α-reductase inhibitor that inhibits conversion of testosterone to dihydrotestosterone. Dutasteride is a medication primarily used to treat the symptoms of an enlarged prostate.
Synonyms Dutasteride 13C6
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
Related CAS 164656-23-9 (unlabelled)
Canonical SMILES CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C
InChI InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1/i3+1,5+1,13+1,14+1,18+1,20+1
InChI Key JWJOTENAMICLJG-JADBXJRRSA-N
Melting Point 217-219°C
Purity 95% by HPLC; 95% atom 13C
Density 1.3±0.1 g/cm3
Appearance Off-White to Pale Yellow Solid
Storage Store at -20°C

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