CEFOTETAN DISODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 0GXP746VXB
Parent Compound: CEFOTETAN

Structure
InChI Key ZQQALMSFFARWPK-GLHLDKNHSA-L
Smile CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+]
InChI
InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15N7Na2O8S4
Molecular Weight 619.6
AlogP -1.4
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 219.93
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed Wikipedia FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
18.63
Respiratory, thoracic and mediastinal disorders
13.73
Cardiac disorders
12.75
Immune system disorders
10.78
Skin and subcutaneous tissue disorders
8.82
General disorders and administration site conditions
7.84
Gastrointestinal disorders
5.88
Infections and infestations
5.88
Pregnancy, puerperium and perinatal conditions
5.88
Nervous system disorders
4.9
Injury, poisoning and procedural complications
2.94

Cross References

Resources Reference
ChEBI 34617
ChEMBL CHEMBL1201098
FDA SRS 0GXP746VXB
KEGG C14007
SureChEMBL SCHEMBL40794
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