Catalog Number:
AG00CKNE
Chemical Name:
Pyridinium,4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, monohydrochloride
CAS Number:
400827-64-7
Molecular Formula:
C16H16Cl2N4O3S3
Molecular Weight:
479.4242
MDL Number:
MFCD30536245
IUPAC Name:
(6R,7R)-7-amino-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride
InChI:
InChI=1S/C16H14N4O3S3.2ClH/c1-19-4-2-8(3-5-19)9-6-25-16(18-9)26-10-7-24-14-11(17)13(21)20(14)12(10)15(22)23;;/h2-6,11,14H,7,17H2,1H3;2*1H/t11-,14-;;/m1../s1
InChI Key:
SCEMEDZWEIWQPU-WGSPLUPMSA-N
SMILES:
N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Sc1scc(n1)c1cc[n+](cc1)C.[Cl-].Cl
EC Number:
447-990-4
