7-epi-Cefazolin Sodium Salt

Analyte Name

Cefazolin Sodium

CAS Number

27164-46-1

Molecular Formula

C14 H13 N8 O4 S3 . Na

Molecular Weight

476.49

Accurate Mass

476.012

SMILES

[Na+].Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)[O-])s1

InChI

InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1

IUPAC

sodium;(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Alternate CAS Number

Free acid: 25953-19-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat