Compound ID | 1104

Update compound information

L-640876

Class: Beta-lactam (cephalosporin)

Spectrum of activity: Gram-positive  &  Gram-negative
Institute where first reported: Merck Inc
Year first mentioned: 1982
Development status: Inactive
Reason Dropped: Inferior efficacy compared to competitors
Chemical structure(s):
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Molecular weight: 495.58
Iso. SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC4=CC=[N+](C=C4)CC5=CC=CC=C5)SC2)C(=O)[O-]
InChI Key: MZRVUZHPHNYXTK-YLJYHZDGSA-N
Can. SMILES: CN1C(=NN=N1)SCC2=C(C(=O)[O-])N3C(=O)[C@H]([C@H]3SC2)NC4=CC=[N+](C=C4)CC5=CC=CC=C5
InChI: InChI=1S/C22H21N7O3S2/c1-27-22(24-25-26-27)34-13-15-12-33-20-17(19(30)29(20)18(15)21(31)32)23-16-7-9-28(10-8-16)11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,31,32)/t17-,20-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/132445
Citations:
  • https://www.jstage.jst.go.jp/article/antibiotics1968/36/1/36_1_47/_pdf

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