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Ceftazidime

  • Name Ceftazidime
  • EINECS276-715-9
  • CAS No. 78439-06-2
  • DensityN/A
  • PSA244.76000
  • LogP-0.38920
  • SolubilityN/A
  • Melting Point>150oC(dec.)
  • FormulaC22H22N6O7S2. 5H2O
  • Boiling PointN/A
  • Molecular Weight636.661
  • Flash PointN/A
  • Transport InformationN/A
  • Appearancewhite solid
  • Safety22-36/37-45-37-24
  • Risk Codes42/43
  • Molecular Structure
    Molecular Structure of 78439-06-2 (Ceftazidime)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data4

Ceftazidime Specification

The Ceftazidime pentahydrate, with the CAS registry number 78439-06-2, has the IUPAC name of (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate. For being a kind of white to cream-colored crystalline powder, it is used as the semisynthetic, broad-spectrum antibacterial derived from cephaloridine and used especially for Pseudomonas and other gram-negative infections in debilitated patients.

The physical properties of this chemical are as follows: (1)ACD/LogP: -2.84; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.22; (4)ACD/LogD (pH 7.4): -3.28; (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: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 199.36; (13)Exact Mass: 636.151962; (14)MonoIsotopic Mass: 636.151962; (15)Topological Polar Surface Area: 250; (16)Complexity: 1020.

When you are dealing with this chemical, you should be much more cautious. For being a kind of harmful chemical, it may cause damage to health and may cause sensitisation by inhalation and skin contact. Therefore, you should wear suitable protective clothing and gloves and try to avoid contacting with skin. And if in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Then do remember not to breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=
C4)C(=O)[O-].O.O.O.O.O
(2)Isomeric SMILES: CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O
(3)InChI: InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4,23,24,25,29,31,32,33,34);5*1H2/b26-13+;;;;;/t14-,18-;;;;;/m1...../s1
(4)InChIKey: NMVPEQXCMGEDNH-NLYPMKEPSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12gm/kg (12000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.
mouse LD50 intravenous 6300mg/kg (6300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.
mouse LD50 subcutaneous 20gm/kg (20000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.
rat LD50 intraperitoneal 10gm/kg (10000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.
rat LD50 intravenous 6100mg/kg (6100mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.
rat LD50 subcutaneous 20gm/kg (20000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 1106, 1986.

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