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4-Hydroxyphenyl Maraviroc

Product Code

TRC-H950860-1MG

CAS Number

856708-54-8

Product Format

Neat

Molecular Formula

C29 H41 F2 N5 O2

Molecular Weight

529.66

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

4-Hydroxyphenyl Maraviroc

CAS Number

856708-54-8

Molecular Formula

C29 H41 F2 N5 O2

Molecular Weight

529.66

Accurate Mass

529.3228

SMILES

CC(C)c1nnc(C)n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)c5ccc(O)cc5

InChI

InChI=1S/C29H41F2N5O2/c1-18(2)27-34-33-19(3)36(27)24-16-22-6-7-23(17-24)35(22)15-12-26(20-4-8-25(37)9-5-20)32-28(38)21-10-13-29(30,31)14-11-21/h4-5,8-9,18,21-24,26,37H,6-7,10-17H2,1-3H3,(H,32,38)/t22-,23+,24-,26-/m0/s1

IUPAC

4,4-difluoro-N-[(1S)-1-(4-hydroxyphenyl)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]cyclohexane-1-carboxamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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