Ceftriaxone-d3 Disodium Salt

Analyte Name

Ceftriaxone O-methyl-d3

CAS Number

1132650-38-4

Molecular Formula

C18 2H3 H15 N8 O7 S3

Molecular Weight

557.60

Accurate Mass

557.0649

SMILES

[2H]C([2H])([2H])O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSC3=NC(=O)C(=NN3C)O)\c4csc(N)n4

InChI

InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1/i2D3

IUPAC

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuteriomethoxyimino)acetyl]amino]-3-[(6-hydroxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Unlabelled CAS Number

Free acid: 73384-59-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Ceftriaxone Sodium; Ceftriaxone

Purity

>95% (HPLC)