Product Code

TRC-R700860

CAS Number

110925-92-3

Product Format

Neat

Molecular Formula

C17 H26 N2 O3 . C2 H2 O4

Molecular Weight

396.43

API Family

Roxatidine

Product Categories

TRC, Enzyme activators, Impurity Reference Materials

Product Type

Impurity, Metabolite

Alternate CAS Number

Free base: 78273-80-0

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

Analyte Name

Roxatidine Hemioxalate

CAS Number

110925-92-3

Molecular Formula

C17 H26 N2 O3 . C2 H2 O4

Molecular Weight

396.43

Accurate Mass

396.1897

SMILES

OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.OC(=O)C(=O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19;3-1(4)2(5)6/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21);(H,3,4)(H,5,6)

IUPAC

2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide;oxalic acid

Alternate CAS Number

Free base: 78273-80-0

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Roxatidine

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