Cefozopran hydrochlorideProduct ingredient for Cefozopran
- Name
- Cefozopran hydrochloride
- Drug Entry
- Cefozopran
- Accession Number
- DBSALT002706
- Structure
Structure for Cefozopran hydrochloride (DBSALT002706)
- 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
Property Value Source Water Solubility 0.118 mg/mL ALOGPS logP -1.1 ALOGPS logP -3.4 ChemAxon logS -3.7 ALOGPS pKa (Strongest Acidic) 2.68 ChemAxon pKa (Strongest Basic) -0.029 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 11 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 184.04 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 168.67 m3·mol-1 ChemAxon Polarizability 48.31 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon