Analyte Name

Clemastine Fumarate

CAS Number

14976-57-9

Molecular Formula

C21 H26 Cl N O . C4 H4 O4

Molecular Weight

459.96

Accurate Mass

459.1813

Flash Point

4

SMILES

CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3.OC(=O)\C=C\C(=O)O

InChI

InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

IUPAC

(E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine

Alternate CAS Number

Free base: 15686-51-8

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

UNITED KINGDOM

Tariff Code

29339980

Product Format

Neat

API Family

Clemastine Fumarate

Analytical Method

Monograph only