Cefotiam hydrochlorideProduct ingredient for Cefotiam

Name
Cefotiam hydrochloride
Drug Entry
Cefotiam

One of the cephalosporins that has a broad spectrum of activity against both gram-positive and gram-negative microorganisms.

Accession Number
DBSALT000796
Structure
Synonyms
Cefotiam HCl
UNII
H7V12WDZ93
CAS Number
66309-69-1
Weight
Average: 562.089
Monoisotopic: 561.080190078
Chemical Formula
C18H24ClN9O4S3
InChI Key
SVSFIELZISOJDT-XRZFDKQNSA-N
InChI
InChI=1S/C18H23N9O4S3.ClH/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);1H/t12-,15-;/m1./s1
IUPAC Name
(6R,7R)-3-[({1-[2-(dimethylamino)ethyl]-1H-1,2,3,4-tetrazol-5-yl}sulfanyl)methyl]-7-{[1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
SMILES
Cl.[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@@]2([H])N=C(O)CC1=CSC(=N)N1)C(O)=O
PubChem Compound
20848883
ChemSpider
20171293
ChEBI
774540
ChEMBL
CHEMBL1200589
Wikipedia
Cefotiam
Predicted Properties
PropertyValueSource
Water Solubility1.68 mg/mLALOGPS
logP0.07ALOGPS
logP-4.3Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)2.8Chemaxon
pKa (Strongest Basic)12.45Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area172.92 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity155.74 m3·mol-1Chemaxon
Polarizability51.87 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon