Analyte Name

Pheniramine Ammonium Glucuronide

CAS Number

145823-17-2

Molecular Formula

C22H29N2O6 • Cl

Molecular Weight

452.93

Accurate Mass

452.17

SMILES

C[N+](C)([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)CCC(C2=CC=CC=N2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H28N2O6.ClH/c1-24(2,21-19(27)17(25)18(26)20(30-21)22(28)29)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-23-16;/h3-10,12,15,17-21,25-27H,11,13H2,1-2H3;1H/t15?,17-,18-,19+,20-,21+;/m0./s1

IUPAC

(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-N,N-dimethyl-N-(3-phenyl-3-(pyridin-2-yl)propyl)tetrahydro-2H-pyran-2-aminium chloride

Alternate CAS Number

137908-77-1 inner salt; 752955-06-9 free amine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat