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Cefepime Hydrochloride

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Name

Cefepime Hydrochloride

EINECS
CAS No. 123171-59-5 Density
Solubility Melting Point 150°C (dec.)
Formula C19H25ClN6O5S2.HCl.H2O Boiling Point
Molecular Weight 571.49 Flash Point
Transport Information Appearance White to pale yellow powder
Safety 22-26-36/37/39 Risk Codes 36/37/38-42/43
Molecular Structure Molecular Structure of 123171-59-5 (Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, hydrochloride, hydrate (1:1:1:1)) Hazard Symbols IrritantXi
Synonyms

Pyrrolidinium,1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, monohydrochloride, monohydrate (9CI);Pyrrolidinium,1-[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-,chloride, monohydrochloride, monohydrate, [6R-[6a,7b(Z)]]-;Cefepime dihydrochloride monohydrate;Cefepime 2HCl;

 

Specification

The Cefepime Hydrochloride , with cas registry number of 123171-59-5, has other registry number of 647035-01-6. It is also called  BMY 28142 2HCl.H2O ; Cefepime HCl ; Maxipime ; UNII-I8X1O0607P . The IUPAC name is called (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-
1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride hydrate hydrochloride . And the systematic name is called 1-{[(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-methylpyrrolidinium chloride hydrochloride hydrate (1: 1:1:1) . This product belongs to the categories of (1)Heterocyclic Compounds ; (2)Heterocycles ; (3)Intermediates & Fine Chemicals ; (4)Pharmaceuticals ; (5)Sulfur & Selenium Compounds.

Physical properties of are: (1) ACD/LogP: -1.62 ; (2) # of Rule of 5 Violations: 1 ; (3) ACD/LogD (pH 5.5): -1 ; (4) ACD/LogD (pH 7.4): -1 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 12 ; (8) ACD/KOC (pH 7.4): 11 ; (9) #H bond acceptors: 11 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 7.

When you are using this chemical, please be cautious about it as the following:
The Cefepime Hydrochloride is irritating to eyes, respiratory system and skin and may cause sensitization by inhalation and skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Make sure it is stored at 0-5°C.

You can still convert the following datas into molecular structure:
(1) SMILES:[Cl-].O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sc3)N)C[N+]4(C)CCCC4)C(=O)O.Cl.O;
(2) InChI:InChI=1/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1;
(3) InChIKey:LRAJHPGSGBRUJN-OMIVUECEBY

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