ERTAPENEM

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Synonyms
Status
Molecule Category Free-form
ATC J01DH03
UNII G32F6EID2H
EPA CompTox DTXSID50165456

Structure

InChI Key JUZNIMUFDBIJCM-ANEDZVCMSA-N
Smiles C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O7S
Molecular Weight 475.52
AlogP 0.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 156.27
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 33.0

Related Entries

Cross References

Resources Reference
ChEBI 404903
ChEMBL CHEMBL1359
DrugBank DB00303
DrugCentral 1046
FDA SRS G32F6EID2H
Human Metabolome Database HMDB0014448
Guide to Pharmacology 10906
PharmGKB PA164777032
PubChem 150610
SureChEMBL SCHEMBL34454
ZINC ZINC000003918453
CONTENTS