CAS No.65243-33-6,Cefetamet pivoxyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65243-33-6
Name:	Cefetamet pivoxyl
Article Data:	3

Formula:	C₂₀H₂₅N₅O₇S₂
Molecular Weight:	511.58
Synonyms:	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl 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-methyl-8-oxo-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- (9CI);Cefetamet pivoxil;Ceftamet pivoxil;
Density:	1.55 g/cm³
Melting Point:	158-160oC
PSA:	216.05000
LogP:	1.74970

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Specification

The Cefetamet pivaloyloxymethyl ester , with cas registry number of 65243-33-6, is a kind of anti-bacterial agents and anti-infective agents. It is the metabolite of cefetamet . Cefetamet pivaloyloxymethyl ester is also called Cefetamet pivoxyl . Its IUPAC name is called 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate . And its systematic name is named as [(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate .

Physical properties of Cefetamet pivaloyloxymethyl ester are: (1) ACD/LogP: 2.44 ; (2) # of Rule of 5 Violations: 2 ; (3) ACD/LogD (pH 5.5): 2.44 ; (4) ACD/LogD (pH 7.4): 2.37 ; (5) ACD/BCF (pH 5.5): 41.87 ; (6) ACD/BCF (pH 7.4): 35.94 ; (7) ACD/KOC (pH 5.5): 503.57 ; (8) ACD/KOC (pH 7.4): 432.25 ; (9) #H bond acceptors: 12 ; (10) #H bond donors: 3 ; (11) #Freely Rotating Bonds: 10 ; (12) Index of Refraction: 1.684 ; (13) Molar Refractivity: 124.9 cm³ ; (14) Molar Volume: 328.9 cm³ ; (15) Surface Tension: 60.9 dyne/cm.

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)C)C(=O)OCOC(=O)C(C)(C)C ;
(2) InChI:InChI=1/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)/b24-11-/t12-,16-/m1/s1;
(3) InChIKey:DASYMCLQENWCJG-XUKDPADIBY