Ceftazidime supplier | CasNO.78439-06-2

Name
Ceftazidime
EINECS 276-715-9
CAS No. 78439-06-2
Article Data4
CAS DataBase
Density
Solubility
Melting Point >150oC(dec.)
Formula C₂₂H₂₂N₆O₇S₂. 5H₂O
Boiling Point
Molecular Weight 636.661
Flash Point
Transport Information
Appearance white solid
Safety 22-36/37-45-37-24
Risk Codes 42/43
Molecular Structure
Hazard Symbols Xn
Synonyms Pyridinium,1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt, pentahydrate (9CI);Pyridinium,1-[[7-[[(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-,inner salt, pentahydrate, [6R-[6a,7b(Z)]]-;Ceftazidime pentahydrate;Glazidim;Starcef 1;
PSA 244.76000
LogP -0.38920

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)	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.

Product Name

Ceftazidime

Ceftazidime Specification

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