Product Code

TRC-R639800

CAS Number

858102-79-1

Product Format

Neat

Molecular Formula

C25 H26 F6 N2 O2 . Cl H

Molecular Weight

536.94

Product Categories

Chiral Molecules , TRC, Additional pharmaceutical toxicology reference materials, Additional Cancer Bioactive Molecules, Additional pharmaceutical toxicology research materials, Additional Neuro Products

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free base: 552292-08-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Rolapitant hydrochloride

CAS Number

858102-79-1

Molecular Formula

C25 H26 F6 N2 O2 . Cl H

Molecular Weight

536.94

Accurate Mass

536.1665

SMILES

Cl.C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c3ccccc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H26F6N2O2.ClH/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H/t16-,22-,23-;/m1./s1

IUPAC

(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrochloride

Alternate CAS Number

Free base: 552292-08-7

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Rolapitant Hydrochloride

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