AG00IA4D

56796-39-5 | Cefmetazole (sodium)

AG00IA4D

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CAS Number	56796-39-5
Catalog Number	AG00IA4D(AGN-PC-0SMEYX)
Chemical Name	Cefmetazole (sodium)
IUPAC Name	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
InChI	InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
InChI Key	BITQGIOJQWZUPL-PBCQUBLHSA-M
MDL Number	MFCD00214260
Molecular Formula	C15H16N7NaO5S3
Molecular Weight	493.5162
SMILES	C(#N)CSCC(=O)N[C@]1([C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC1=NN=NN1C)OC.[Na+]
UNII	37Y9VR4W7A
Synonyms	Cefmetazole, Cefmetazole Monosodium Salt, Cefmetazole Sodium, Cefmetazon, CS 1170, CS-1170, CS1170, Monosodium Salt, Cefmetazole, Salt, Cefmetazole Monosodium, Sodium, Cefmetazole, U 72791A, U-72791A, U72791A, Zefazone, CEFMETAZOLE SODIUM, 56796-39-5, Cefmetazon, Zefazone, CEFMETAZOLE SODIUM SALT, CMZ sodium, CS 1170 sodium, SKF 83088 sodium, Cefmetazole (sodium), cefmetazone, Sodium cefmetazole, UNII-37Y9VR4W7A, Zefazone In Plastic Container, CHEBI:3490, U 72791A, Metafar, 37Y9VR4W7A, MFCD00214260, U-72791A, DSSTox_CID_25590, DSSTox_RID_80985, DSSTox_GSID_45590, CMZ, 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, 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)-, sodium (6R,7S)-7-(2-(cyanomethylthio)acetamido)-7-methoxy-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, C15H16N7NaO5S3, Cefmetazole sodium [USAN:JAN], cefmetazole-sodium, Prestwick_21, NCGC00017120-01, Zefazone (TN), Cefmetazole sodium [USAN:USP:JAN], CAS-56796-39-5, Epitope ID:116656, MLS000028660, SCHEMBL193751, C15H16N7O5S3.Na, CHEMBL1201118, DTXSID5045590, Cefmetazole sodium (JP17/USP), CTK8F8525, AOB5078, HMS1570K21, HMS2097K21, HMS2230G19, HMS3260F14, HMS3714K21, BCP11979, HY-B1257, Tox21_110788, Tox21_500266, AKOS025392167, Tox21_110788_1, ACN-045447, API0001892, CCG-220700, CCG-221570, CS-4966, KS-1415, LP00266, NCGC00023016-07, NCGC00093724-01, NCGC00260951-01, AN-40039, SMR000058923, CS-1170; SKF-83088, LS-150047, EU-0100266, FT-0603044, ST51014954, C 6048, C08104, D00911, A831179, Cefmetazole sodium salt, Antibiotic for Culture Media Use Only, (6R-cis)-7-((((Cyanomethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monosodium salt, (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, Sodium (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanyl, 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-(cyanomethylthio)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium (6R,7S)-7-[2-(cyanomethylsulfanyl)ethanoylamino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-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, Cefmetazolesodium, CID42009, C15-H16-N7-O5-S3.Na, C3029, C-2472,

Complexity	824
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	493.027g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	493.507g/mol
Monoisotopic Mass	493.027g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	242A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H317-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 2811

Certificate of Analysis

Lot Number