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CAS No.: | 92665-29-7 |
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Name: | Cefprozil |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C18H19N3O5S |
Molecular Weight: | 389.432 |
Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2- carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl) acetyl]amino]-8-oxo-3-(1-propenyl)-,(6R,7R)-;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, (6R-(6alpha,7beta(R*)))-;Cefprozilum [INN-Latin];Cefzil (TN);Cefprozil (USP);BMY 28100;(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cronocef;Cefprozilo [INN-Spanish];CFPZ;Serozil;Brisoral;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-(1-propenyl)-, (6R,7R)-;Cefprozil anhydrous;Cefzil;(6R,7R)-7-[(2R)-2-Amino-2-(4-hydroxyphenyl) acetylamino]-8-oxo-3-(1-pro-penyl)-5-thia-1-azabicylo [4.2.0]oct-2-ene-2-carboxylic acid; |
EINECS: | 618-870-0 |
Density: | 1.53 g/cm3 |
Melting Point: | 76°C |
Boiling Point: | 803.1 °C at 760 mmHg |
Flash Point: | 439.5 °C |
Solubility: | Soluble in DMSO at 10mg/ml. Insoluble in water. |
Appearance: | white powder |
Hazard Symbols: | Xn |
Risk Codes: | R22; R41; R43 |
PSA: | 158.26000 |
LogP: | 1.73580 |
The Cefprozil, with the CAS registry number 92665-29-7, has the IUPAC name of (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. This is usually applied as the cephalosporin type antibiotic and could be used to treat bronchitis, ear infections, skin infections, and other bacterial infections. Besides, its product categories are including Intermediates & Fine Chemicals; Pharmaceuticals.
The physical properties of this chemical are as follows: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 104.69; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 100.11 cm3; (15)Molar Volume: 253.8 cm3; (16)Polarizability: 39.68 ×10-24 cm3; (17)Surface Tension: 85.2 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 439.5 °C; (20)Enthalpy of Vaporization: 122.44 kJ/mol; (21)Boiling Point: 803.1 °C at 760 mmHg; (22)Vapour Pressure: 3.18E-27 mmHg at 25°C; (23)Exact Mass: 389.104541; (24)MonoIsotopic Mass: 389.104541; (25)Topological Polar Surface Area: 158; (26)Heavy Atom Count: 27; (27)Complexity: 699.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
(2)Isomeric SMILES: C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O
(3)InChI: InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1
(4)InChIKey: WDLWHQDACQUCJR-ZAMMOSSLSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
child | TDLo | oral | 7500ug/kg/5D- (7.5mg/kg) | LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA MUSCULOSKELETAL: JOINTS | Journal of Pediatrics. Vol. 125, Pg. 325, 1994. |
dog | LD | oral | > 2gm/kg (2000mg/kg) | Japanese Journal of Antibiotics. Vol. 43, Pg. 1238, 1990. | |
rat | LD | oral | > 2gm/kg (2000mg/kg) | Japanese Journal of Antibiotics. Vol. 43, Pg. 1238, 1990. | |
women | TDLo | oral | 100mg/kg/5D-I (100mg/kg) | MUSCULOSKELETAL: JOINTS SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Journal of Pediatrics. Vol. 125, Pg. 325, 1994. |