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
- External Links
- PubChem Compound
- 20848883
- ChemSpider
- 20171293
- ChEBI
- 774540
- ChEMBL
- CHEMBL1200589
- Wikipedia
- Cefotiam
- Predicted Properties
Property Value Source Water Solubility 1.68 mg/mL ALOGPS logP 0.07 ALOGPS logP -4.3 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 2.8 Chemaxon pKa (Strongest Basic) 12.45 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 172.92 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 155.74 m3·mol-1 Chemaxon Polarizability 51.87 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon