Analyte Name

Roxatidine-d10 Hemioxalate

CAS Number

1794756-35-6

Molecular Formula

C17H16D10N2O3.0.5C2H2O4

Molecular Weight

361.48

Accurate Mass

361.26

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])N(CC2=CC(OCCCNC(CO)=O)=CC=C2)C([2H])([2H])C1([2H])[2H].O=C(O)C(O)=O.[2H]C3([2H])C([2H])([2H])C([2H])([2H])N(CC4=CC(OCCCNC(CO)=O)=CC=C4)C([2H])([2H])C3([2H])[2H]

InChI

InChI=1S/2C17H26N2O3.C2H2O4/c2*20-14-17(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/h2*4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21);(H,3,4)(H,5,6)/i2*1D2,2D2,3D2,9D2,10D2;

IUPAC

2-hydroxy-N-(3-(3-((piperidin-1-yl-d10)methyl)phenoxy)propyl)acetamide hemioxalate

Unlabelled CAS Number

110925-92-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat