ertapenem (invanz) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

475.52

ALogP

0.94

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)Nc4cccc(c4)C(=O)O
  • InChIKey: JUZNIMUFDBIJCM-ANEDZVCMSA-N
    InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1359   ChEMBL
ertapenem *

CHEMBL1232   ChEMBL
ertapenem sodium

G32F6EID2H   NCATS
ertapenem *

Ertapenem   Wikipedia

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