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C24H24N6O4S2CAS 56610-72-1524.61 g/mol

Open in Covalent MOL file
OH2NONOOSNNNNS
AlkeneAmideEsterEtherLactamPrimary amineSulfide

Properties

Molecular formula
C24H24N6O4S2
Molar mass
524.61 g/mol
Exact mass
524.1300 Da
logP
2.11Crippen estimate
Polar surface area
125.5 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
8
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56610-72-1
SMILES
CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21
InChIKey
QGXKMJVEULWQSB-VWNXMTODSA-N
InChI
InChI=1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1

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Names and synonyms

3 names
  • Diphenylmethyl 7β-amino-7α-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-3-cephem-4-carboxylate
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R,7S)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R-cis)-

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