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Product Overview

Product Code

TRC-B131605

CAS Number

116315-19-6

Product Format

Neat

Molecular Formula

C23 H27 N3 O3

Molecular Weight

393.479

Product Categories

TRC, Impurity Reference Materials

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Product Information

Chemical Data

Analyte Name

cis-(-)-Benafentrine

CAS Number

116315-19-6

Molecular Formula

C23 H27 N3 O3

Molecular Weight

393.479

Accurate Mass

393.205

SMILES

COc1cc2[C@H]3CN(C)CC[C@H]3N=C(c4ccc(NC(=O)C)cc4)c2cc1OC

InChI

InChI=1S/C23H27N3O3/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27)/t19-,20-/m1/s1

IUPAC

N-[4-[(4aR,10bS)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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