CAS No.84880-03-5,Cefpimizole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84880-03-5
Name:	Cefpimizole

Formula:	C₂₈H₂₆N₆O₁₀S₂
Molecular Weight:	670.681
Synonyms:	Pyridinium,1-[[(6R,7R)-2-carboxy-7-[[(2R)-[[(5-carboxy-1H-imidazol-4-yl)carbonyl]amino]phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-(2-sulfoethyl)-,inner salt (9CI);Pyridinium, 1-[[2-carboxy-7-[[[[(5-carboxy-1H-imidazol-4-yl)carbonyl]amino]phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-(2-sulfoethyl)-,inner salt, [6R-[6a,7b(R*)]]-;Cefpimizole;U 63196;
PSA:	276.55000
LogP:	1.19350

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Specification

The Cefpimizole, with CAS registry number 84880-03-5, has the systematic name of 2-(1-{[(6R,7R)-2-carboxy-7-{[(2R)-2-{[(5-carboxy-1H-imidazol-4-yl)carbonyl]amino}-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium-4-yl)ethanesulfonate. And its classification code is Antibacterial.

Physical properties of Cefpimizole: (1)ACD/LogP: -5.88; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -6.27; (4)ACD/LogD (pH 7.4): -6.28; (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: 16; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 223.28 Å².

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@@H](c3ccccc3)NC(=O)c4ncnc4C(=O)O)C[n+]5ccc(cc5)CCS([O-])(=O)=O)C(=O)O
(2)InChI: InChI=1/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1
(3)InChIKey: LNZMRLHZGOBKAN-KAWPREARBA
(4)Std. InChI: InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1
(5)Std. InChIKey: LNZMRLHZGOBKAN-KAWPREARSA-N