CAS No.65085-01-0,Cefmenoxime Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65085-01-0
Name:	Cefmenoxime
Article Data:	8

Formula:	C₁₆H₁₇N₉O₅S₃
Molecular Weight:	511.566
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,[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-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)- (9CI);AB 50912;Cefmenoxime;SCE 1365;
EINECS:	278-299-4
Density:	1.96 g/cm³
Solubility:	Soluble in dimethylsulfoxide, poorly soluble in water or methanol, nearly insoluble in ethanol or acetone
Appearance:	White or light yellow crystalline powder, odourless
Hazard Symbols:	Xi
Risk Codes:	R41
PSA:	269.65000
LogP:	0.04020

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Specification

The Cefmenoxime, with the CAS registry number 65085-01-0, is also known as (6R-(6alpha,7beta(Z)))-7-(((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid. This chemical's molecular formula is C₁₆H₁₇N₉O₅S₃ and molecular weight is 511.56. What's more, its systematic name is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its classification codes are: (1)Anti-Bacterial Agents; (2)Anti-Infective Agents; (3)Antibiotics. This chemical is a cephalosporin antibiotic that is administered intravenously or intramuscularly. It is active against most common gram-positive and gram-negative microorganisms, is a potent inhibitor of Enterobacteriaceae, and is highly resistant to hydrolysis by beta-lactamases. The drug has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.

Physical properties of Cefmenoxime are: (1)ACD/LogP: 1.267; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 14; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 269.65 Å²; (13)Index of Refraction: 1.913; (14)Molar Refractivity: 122.099 cm³; (15)Molar Volume: 259.839 cm³; (16)Polarizability: 48.404×10^-24cm³; (17)Surface Tension: 100.27 dyne/cm; (18)Density: 1.969 g/cm³.

Preparation of Cefmenoxime: this chemical can be prepared by (6R)-7t-amino-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid and (2-amino-thiazol-4-yl)-methoxyimino-acetic acid 4,6-dimethoxy-[1,3,5]triazin-2-yl ester at the temperature of 0 °C. This reaction will need reagent N,O-bis-dimethylsilyl acetamide with the reaction time of 2.5 hours. The yield is about 73%.

Cefmenoxime can be prepared by (6R)-7t-amino-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid and (2-amino-thiazol-4-yl)-methoxyimino-acetic acid 4,6-dimethoxy-[1,3,5]triazin-2-yl ester at the temperature of 0 °C

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)CSc4nnnn4C)C(=O)O
(2)Std. InChI: InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1
(3)Std. InChIKey: HJJDBAOLQAWBMH-YCRCPZNHSA-N