CAS No.113359-04-9,Cefozopran Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113359-04-9
Name:	Cefozopran

Formula:	C₁₉H₁₇N₉O₅S₂
Molecular Weight:	515.53
Synonyms:	Imidazo[1,2-b]pyridazinium,1-[[(6R,7R)-7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt (9CI);Imidazo[1,2-b]pyridazinium,1-[[7-[[(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt, [6R-[6a,7b(Z)]]-;1,2,4-Thiadiazole, imidazo[1,2-b]pyridaziniumderiv.;
EINECS:	601-249-3
Density:	1.59 g/cm3
Melting Point:	>300 °C
Appearance:	white to pale-yellow powder
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	238.39000
LogP:	-1.57990

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Chemistry

Molecular Structure of Cefozopran (CAS NO.113359-04-9):

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[2,1-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Empirical Formula: C₁₉H₁₇N₉O₅S₂
Molecular Weight: 515.52
H bond acceptors: 14
H bond donors: 4
Freely Rotating Bonds: 7
Polar Surface Area: 238.39Å²
Melting piont: >300°C
Product Categories: Cefozopran Hydrochloride and its intermediates; Antibacterial; Intermediates & Fine Chemicals; Pharmaceuticals
InChI
InChI=1/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
Smiles
c1[n+](c2n(c1)nccc2)CC=1CS[C@@H]2[C@@H](C(=O)N2C1C([O-])=O)NC(\C(=N/OC)c1nc(N)sn1)=O

Specification

Cefozopran , with CAS number of 113359-04-9, can be called (6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate ; [6R-[6a,7b(Z)]]-1-[[7-[[(5-Amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]imidazo[1,2-b]pyridazinium inner salt . It is a white to pale-yellow powder, Cefozopran (CAS NO.113359-04-9) is used as antibacterial.