Analyte Name

(6R,7R)-7-Amino-3-((1-methylpyrrolidin-1-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-d8 Hydrochloride

CAS Number

131857-31-3

Molecular Formula

C13 D8 H11 N3 O3 S . H Cl

Molecular Weight

341.884

Accurate Mass

341.142

SMILES

Cl.[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+](C)(CC2=C(N3[C@H](SC2)[C@H](N)C3=O)C(=O)[O-])C1([2H])[2H]

InChI

InChI=1S/C13H19N3O3S.ClH/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H/t9-,12-;/m1./s1/i2D2,3D2,4D2,5D2;

IUPAC

(6R,7R)-7-amino-3-[(2,2,3,3,4,4,5,5-octadeuterio-1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat