CAS No.85287-61-2,Cefpimizole sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85287-61-2
Name:	Cefpimizole sodium

Formula:	C28H26 N6 O10 S2 . Na
Molecular Weight:	693.66
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, monosodium 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, monosodium salt, [6R-[6a,7b(R*)]]-; AC 1370; Ajicef; Cefpimizolesodium; Renilan; U 63196E
Safety:	Moderately toxic by intravenous route. Mildly toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NO_x, SO_x, and Na₂O.
PSA:	279.38000
LogP:	-0.14120

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Chemistry

IUPAC Name: sodium(6R,7R)-7-[[(2R)-2-[(2-carboxy-1H-imidazole-5-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Empirical Formula: C₂₈H₂₅N₆NaO₁₀S₂
Molecular Weight: 692.6521g/mol
H-Bond Donor: 4
H-Bond Acceptor: 11
Rotatable Bond Count: 10
Tautomer Count: 14
Exact Mass: 692.097127
MonoIsotopic Mass: 692.097127
Topological Polar Surface Area: 246
Heavy Atom Count: 47
Formal Charge: 0
Complexity: 1340
Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CN=C(N4)C(=O)O)C(=O)
[O-])C[N+]5=CC=C(C=C5)CCS(=O)(=O)[O-].[Na+]
Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CN=C(N4)C(=O)O)C(=O)[O-])C[N+]5=CC=C(C=C5)CCS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C28H26N6O10S2.Na/c35-23(18-12-29-22(30-18)28(40)41)31-19(16-4-2-1-3-5-16)24(36)32-20-25(37)34-21(27(38)39)17(14-45-26(20)34)13-33-9-6-15(7-10-33)8-11-46(42,43)44;/h1-7,9-10,12,19-20,26H,8,11,13-14H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44);/q;+1/p-1/t19-,20-,26-;/m1./s1
InChIKey: AFRHBNZCLNRBKP-USSRSQKSSA-M
Structure of Cefpimizole sodium (CAS NO.85287-61-2):

Toxicity Data With Reference

1.	orl-rat LD50:>15 g/kg	TOLED5 Toxicology Letters. 23 (1984),135.
2.	scu-rat LD50:11,500 mg/kg	TOLED5 Toxicology Letters. 23 (1984),135.
3.	ivn-rat LD50:3500 mg/kg	TOLED5 Toxicology Letters. 23 (1984),135.
4.	scu-mus LD50:6800 mg/kg	TOLED5 Toxicology Letters. 23 (1984),135.
5.	ivn-mus LD50:2700 mg/kg	TOLED5 Toxicology Letters. 23 (1984),135.

Safety Profile

Moderately toxic by intravenous route. Mildly toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of NO_x, SO_x, and Na₂O.

Specification

Cefpimizole sodium , its cas register number is 85287-61-2. It also can be called -(((6R,7R)-2-Carboxy-7-((R)-2-(5-carboxyimidazole-4-carboxamido)-2-phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-4-(2-sulfoethyl)pyridinium hydroxide, inner salt, monosodium salt 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)-, hydroxide, inner salt, monosodium salt, (6R-(6alpha,7beta(R*)))- ; Renilan ; U 63196E and UNII-X4628IMC52 . When heated to decomposition it emits toxic fumes of NO_x, SO_x, and Na₂O. The storage environment of Cefpimizole sodium (CAS NO.85287-61-2) should be ventilate, low-temperature and dry.