Drug Information

General Information
Drug ID
DR01386
Drug Name
Cefotetan
Synonyms
Cefotetanum; Apatef (TN); Cefotan (TN); Cefotetan (JP15/USP/INN); (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-[[4-(1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
Drug Type
Small molecular drug
Indication Bacterial infections [ICD11:1A00-1H0Z] Approved [1]
Therapeutic Class
Antibiotics
Structure
3D MOL 2D MOL
Formula
C17H17N7O8S4
Canonical SMILES
CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
InChI
InChI=1S/C17H17N7O8S4/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)/t13?,15-,17+/m1/s1
InChIKey
SRZNHPXWXCNNDU-RHBCBLIFSA-N
CAS Number
CAS 69712-56-7
Pharmaceutical Properties Molecular Weight 575.6 Topological Polar Surface Area 321
Heavy Atom Count 36 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 15
XLogP
0.1
PubChem CID
53025
PubChem SID
9103 ,7847326 ,7978881 ,11051543 ,11466501 ,11467621 ,11486281 ,15359621 ,34717168 ,46506572 ,48020449 ,48020450 ,48095951 ,48244839 ,48415722 ,49699096 ,50124222 ,50186741 ,56463651 ,57313480 ,92125572 ,92719732 ,93302793 ,93374658 ,93578304 ,103594731 ,103914470 ,104301116 ,121363243 ,124766176 ,124800749 ,126628099 ,136199027 ,137156467 ,137249718 ,141754331 ,144204232 ,152035519 ,162176887 ,162258056 ,163409419 ,164788214 ,175611876 ,179116605 ,184545873 ,184546368 ,185985468 ,196378900 ,226443050 ,241122609
ChEBI ID
CHEBI:3499
TTD Drug ID
D0AP9T
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Cefotetan was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.

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