CEFOTIAM

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Synonyms
Status
Molecule Category Free-form
ATC J01DC07
UNII 91W6Z2N718
EPA CompTox DTXSID6022763

Structure

InChI Key QYQDKDWGWDOFFU-IUODEOHRSA-N
Smiles CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1
InChI
InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N9O4S3
Molecular Weight 525.64
AlogP -0.65
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 172.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Related Entries

Cross References

Resources Reference
ChEBI 355510
ChEMBL CHEMBL1296
DrugBank DB00229
DrugCentral 548
FDA SRS 91W6Z2N718
Human Metabolome Database HMDB0014374
PharmGKB PA164749298
PubChem 43708
SureChEMBL SCHEMBL149538
ZINC ZINC000003830445
CONTENTS