Analyte Name

Carbenicillin Indanyl Sodium

CAS Number

26605-69-6

Molecular Formula

C26 H26 N2 O6 S . Na

Molecular Weight

516.54

Accurate Mass

516.1331

SMILES

N(C(C(C(OC=1C=C2C(=CC1)CCC2)=O)C3=CC=CC=C3)=O)[C@H]4[C@@]5(N([C@@H](C(O)=O)C(C)(C)S5)C4=O)[H].[Na]

InChI

InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1

IUPAC

sodium;(2S,5R,6R)-6-[[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Country of Origin

CANADA

Product Format

Neat