Cefozopran hydrochlorideProduct ingredient for Cefozopran

Name
Cefozopran hydrochloride
Drug Entry
Cefozopran
Accession Number
DBSALT002706
Structure
Thumb
Synonyms
Cefozopran HCl / Cefozopran monohydrochloride
External IDs
SCE-2787
UNII
060I5C0GRC
CAS Number
113981-44-5
Weight
Average: 551.98
Monoisotopic: 551.0560848
Chemical Formula
C19H18ClN9O5S2
InChI Key
NTJHUKMPVIFDNY-XFDPNJHTSA-N
InChI
InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
IUPAC Name
1-{[(6R,7R)-2-carboxy-7-{[(2Z)-1-hydroxy-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}imidazo[1,2-b]pyridazin-1-ium hydrochloride
SMILES
Cl.[H][C@]12SCC(C[N+]3=C4C=CC=NN4C=C3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=NC(=N)SN1)C([O-])=O
External Links
ChemSpider
4590787
Predicted Properties
PropertyValueSource
Water Solubility0.118 mg/mLALOGPS
logP-1.1ALOGPS
logP-3.4ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)2.68ChemAxon
pKa (Strongest Basic)-0.029ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area184.04 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity168.67 m3·mol-1ChemAxon
Polarizability48.31 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon