Product Code

TRC-C367710

CAS Number

1391048-05-7

Product Format

Neat

Molecular Formula

C29 H41 Cl F N5 O

Molecular Weight

530.12

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

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Product Information

Chemical Data

Analyte Name

4-Chloro Maraviroc

CAS Number

1391048-05-7

Molecular Formula

C29 H41 Cl F N5 O

Molecular Weight

530.12

Accurate Mass

529.298

SMILES

CC(C)c1nnc(C)n1C2CC3CCC(C2)N3CC[C@H](NC(=O)C4CCC(F)(Cl)CC4)c5ccccc5

InChI

InChI=1S/C29H41ClFN5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t22?,23?,24?,25?,26-,29?/m0/s1

IUPAC

4-chloro-4-fluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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