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| CAS No.: | 87239-81-4 |
|---|---|
| Name: | Cefpodoxime proxetil |
| Molecular Structure: | |
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| Formula: | C21H27N5O9S2 |
| Molecular Weight: | 557.605 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-,1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, [6R-[6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-,1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7R)- (9CI);(RS)-1-(Isopropoxycarbonyloxy)ethyl (+)-(6R,7R)-7-[2-(2-amino-4-thiazolyl)-2-[(Z)-(methoxyimino]acetamido]-3-methoxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Antibiotic CS 807;Banan;CS 807;CS 807 (pharmaceutical);Cefodox;Cefoprox;Cepodem;Orelox;Otreon;RU 51807;U 76252;Vantin;Cefpodoxime proxetil; |
| EINECS: | 1308068-626-2 |
| Density: | 1.58 g/cm3 |
| Melting Point: | 111-113 °C |
| Appearance: | pale yellow solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-42/43 |
| Safety: | 22-26-36/37/39 |
| PSA: | 234.51000 |
| LogP: | 1.73700 |
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Specification
The Cefpodoxime proxetil, with the CAS registry number 87239-81-4,is also known as Vantin; (RS)-1(Isopropoxycarbonyloxy)ethyl (+)-(6R,7R)-7-[2-(2-amino-4-thiazolyl)-2-[(Z)methoxyimino]acetamido]-3-methoxymethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. It belongs to the product categories of Isotope Labeled Compounds;Metabolites & Impurities;Cefpodoxime. This chemical's molecular formula is C21H27N5O9S2 and molecular weight is 557.59. What's more,Its systematic name is Cefpodoxime proxetil.It is a Pale Yellow Solid which is an antibacterial. A broad spectrum, orally absorbed third generation cephalosporin, ester prodrug of the active free acid metabolite, Cefpodoxime
Physical properties about Cefpodoxime proxetil are:
(1)ACD/LogP: 2.946; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 101.75; (6)ACD/BCF (pH 7.4): 84.38; (7)ACD/KOC (pH 5.5): 951.20; (8)ACD/KOC (pH 7.4): 788.76; (9)#H bond acceptors: 14; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.671; (13)Molar Refractivity: 131.765 cm3; (14)Molar Volume: 352.527 cm3; (15)Polarizability: 52.236 10-24cm3 ; (16)Surface Tension: 60.0359992980957 dyne/cm; (17)Density: 1.582 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sc3)N)COC)C(=O)OC(OC(=O)OC(C)C)C;
(2)Std. InChI:InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1;
(3)Std. InChIKey:LTINZAODLRIQIX-FBXRGJNPSA-N.
Safety Information of Cefpodoxime proxetil :
The Cefpodoxime proxetil is irritating to eyes, respiratory system and skin. And it may cause sensitization by inhalation and skin contact. When you use it ,please do not breathe dust and wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
The toxicity data of Cefpodoxime proxetil are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | > 800mg/kg (800mg/kg) | Chemotherapy Vol. 36(Suppl, | |
| mouse | LD50 | intraperitoneal | 2535mg/kg (2535mg/kg) | BLOOD: CHANGES IN SPLEEN LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 36(Suppl, |
| mouse | LD50 | oral | > 8gm/kg (8000mg/kg) | Chemotherapy Vol. 36(Suppl, | |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 36(Suppl, |
| rat | LD50 | intraperitoneal | > 4gm/kg (4000mg/kg) | BLOOD: CHANGES IN SPLEEN LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 36(Suppl, |
| rat | LD50 | oral | > 4gm/kg (4000mg/kg) | Chemotherapy Vol. 36(Suppl, | |
| rat | LD50 | subcutaneous | > 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Chemotherapy Vol. 36(Suppl, |