Cefmetazole sodium

CAS Number: 56796-39-5

Molecular Mass: 493.5 g/mol

Formula: C₁₅H₁₆N₇NaO₅S₃

Smiles: CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+]

Synonymes:

Cefmetazole sodium, CEFMETAZOLE SODIUM, 56796-39-5, Zefazone, CEFMETAZOLE SODIUM SALT, CMZ sodium, CS 1170 sodium, SKF 83088 sodium, Zefazone In Plastic Container, U 72791A, 37Y9VR4W7A, CHEBI:3490, DTXSID5045590, U-72791A, NSC-758171, DTXCID3025590, Sodium, Cefmetazole, RefChem:57283, Cefmetazole Monosodium Salt, Monosodium Salt, Cefmetazole, Salt, Cefmetazole Monosodium, U72791A, Monosodium (6R,7R)-7-(((cyanomethylsulfanyl)acetyl)amino)-7-methoxy-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, Cefmetazon, Cefmetazole (sodium), Sodium cefmetazole, MFCD00214260, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7S)-, sodium, (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Sodium (6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, cefmetazone, UNII-37Y9VR4W7A, Prestwick_21, NCGC00017120-01, Zefazone (TN), Sodium (6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Sodium (6R,7S)-7-[2-[(cyanomethyl)thio]acetamido]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Cefmetazole sodium [USAN:USP:JAN], CAS-56796-39-5, Epitope ID:116656, MLS000028660, SCHEMBL193751, orb1309865, CHEMBL1201118, Cefmetazole sodium (JP18/USP), CEFMETAZOLE SODIUM [USAN], CEFMETAZOLE SODIUM [VANDF], GLXC-06709, HMS1570K21, HMS2097K21, HMS2230G19, HMS3260F14, HMS3714K21, CEFMETAZOLE SODIUM [MART.], CEFMETAZOLE SODIUM [WHO-DD], HY-B1257, Tox21_110788, Tox21_500266, CEFMETAZOLE SODIUM SALT [MI], EBC-99106, AKOS025392167, Tox21_110788_1, CCG-220700, CCG-221570, CS-4966, FC38036, KS-1415, LP00266, NSC 758171, CEFMETAZOLE SODIUM [ORANGE BOOK], NCGC00023016-07, NCGC00093724-01, NCGC00260951-01, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-cis)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, sodium salt, (6R-cis)-, CEFMETAZOLE SODIUM [USP MONOGRAPH], SMR000058923, sodium (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, CS-1170, SKF-83088, C3029, EU-0100266, ST51014954, C 6048, C08104, C75664, D00911, Q27106105, (7S,7aR)-7-[2-(cyanomethylthio)acetylamino]-7-methoxy-3-[(1-methyl(1,2,3,4-tet raazol-5-ylthio))methyl]-6-oxo-2H-azetidino[2,1-b]1,3-thiazine-4-carboxylic ac id, sodium salt, 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((((CYANOMETHYL)THIO)ACETYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, MONOSODIUM SALT, (6R-CIS), Sodium (6R,7S)-7-{2-[(cyanomethyl)sulfanyl]acetamido}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium 6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	0.2695	[364]
1-Butanol	283.15	-	0.3096	[364]
1-Butanol	288.15	-	0.3477	[364]
1-Butanol	293.15	-	0.4453	[364]
1-Butanol	298.15	-	0.5307	[364]
1-Butanol	303.15	-	0.6622	[364]
1-Butanol	308.15	-	0.8079	[364]
1-Butanol	313.15	-	1.037	[364]
1-Pentanol	278.15	-	0.143	[364]
1-Pentanol	283.15	-	0.1813	[364]
1-Pentanol	288.15	-	0.2208	[364]
1-Pentanol	293.15	-	0.2664	[364]
1-Pentanol	298.15	-	0.3065	[364]
1-Pentanol	303.15	-	0.36	[364]
1-Pentanol	308.15	-	0.4387	[364]
1-Pentanol	313.15	-	0.5061	[364]
1-Propanol	278.15	-	0.4101	[364]
1-Propanol	283.15	-	0.4681	[364]
1-Propanol	288.15	-	0.5385	[364]
1-Propanol	293.15	-	0.6929	[364]
1-Propanol	298.15	-	0.8209	[364]
1-Propanol	303.15	-	0.9998	[364]
1-Propanol	308.15	-	1.242	[364]
1-Propanol	313.15	-	1.578	[364]
Butyl acetate	278.15	-	0.1467	[364]
Butyl acetate	283.15	-	0.166	[364]
Butyl acetate	288.15	-	0.1952	[364]
Butyl acetate	293.15	-	0.2377	[364]
Butyl acetate	298.15	-	0.2787	[364]
Butyl acetate	303.15	-	0.3315	[364]
Butyl acetate	308.15	-	0.4011	[364]
Butyl acetate	313.15	-	0.4538	[364]
Cyclohexane	278.15	-	0.0061	[364]
Cyclohexane	283.15	-	0.0081	[364]
Cyclohexane	288.15	-	0.00965	[364]
Cyclohexane	293.15	-	0.0114	[364]
Cyclohexane	298.15	-	0.0141	[364]
Cyclohexane	303.15	-	0.0162	[364]
Cyclohexane	308.15	-	0.02071	[364]
Cyclohexane	313.15	-	0.02535	[364]
Ethanol	278.15	-	4.052	[364]
Ethanol	283.15	-	4.343	[364]
Ethanol	288.15	-	4.608	[364]
Ethanol	293.15	-	5.069	[364]
Ethanol	298.15	-	5.767	[364]
Ethanol	303.15	-	6.848	[364]
Ethanol	308.15	-	8.742	[364]
Ethanol	313.15	-	10.6	[364]
Ethyl acetate	278.15	-	0.2732	[364]
Ethyl acetate	283.15	-	0.3083	[364]
Ethyl acetate	288.15	-	0.3524	[364]
Ethyl acetate	293.15	-	0.4343	[364]
Ethyl acetate	298.15	-	0.5261	[364]
Ethyl acetate	303.15	-	0.6818	[364]
Ethyl acetate	308.15	-	0.8303	[364]
Ethyl acetate	313.15	-	1.084	[364]
Hexane	278.15	-	0.00617	[364]
Hexane	283.15	-	0.00804	[364]
Hexane	288.15	-	0.0098	[364]
Hexane	293.15	-	0.01125	[364]
Hexane	298.15	-	0.0131	[364]
Hexane	303.15	-	0.0153	[364]
Hexane	308.15	-	0.01819	[364]
Hexane	313.15	-	0.022	[364]
Isopropanol	278.15	-	0.4421	[364]
Isopropanol	283.15	-	0.4945	[364]
Isopropanol	288.15	-	0.5793	[364]
Isopropanol	293.15	-	0.7549	[364]
Isopropanol	298.15	-	0.898	[364]
Isopropanol	303.15	-	1.08	[364]
Isopropanol	308.15	-	1.33	[364]
Isopropanol	313.15	-	1.805	[364]

Molecule 3D descriptors

Descriptor	Value
PMI1	2568.5322
PMI2	5422.1000
PMI3	6244.3583
NPR1	0.4113
NPR2	0.8683
RadiusOfGyration	3.7976
InertialShapeFactor	0.0003
Eccentricity	0.9115
Asphericity	0.2204
SpherocityIndex	0.2766
PBF	0.9748