delta2-Cefbuperazone-d3

Analyte Name

delta2-Cefbuperazone-d3

Molecular Formula

C22 D3 H26 N9 O9 S2

Molecular Weight

630.669

Accurate Mass

630.172

SMILES

[2H]C([2H])([2H])[C@H](O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)N[C@@]2(OC)[C@H]3SC=C(CSc4nnnn4C)C(N3C2=O)C(=O)O

InChI

InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h8,10,12-13,19,32H,5-7,9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12-,13?,19+,22-/m0/s1/i2D3

IUPAC

(6R,7S)-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[(2S,3S)-4,4,4-trideuterio-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat