AG002T1B

26395-99-3 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-

AG002T1B

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CAS Number	26395-99-3
Catalog Number	AG002T1B(AGN-PC-00MPUX)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-
EC Number	247-654-5
IUPAC Name	7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI	InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)
InChI Key	NVIAYEIXYQCDAN-UHFFFAOYSA-N
MDL Number	MFCD00151456
Molecular Formula	C8H10N2O3S
Molecular Weight	214.2416
SMILES	O=C(C(N12)=C(C)CSC2C(N)C1=O)O
Synonyms	7-ADCA, 7-aminodeacetoxycephalosporanic acid, 7-aminodesacetoxycephalosporanic acid, 7-desacetoxyaminocephalosporanic acid, 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 26395-99-3, 7 adca, 7-Amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-ADCA, NVIAYEIXYQCDAN-UHFFFAOYSA-N, AK-82295, Cefazedone Impurity 13, AC1L1CG3, AC1Q6LP4, SCHEMBL106017, CHEMBL1161451, CTK1A7547, ANW-44261, BBL005652, MFCD00051489, MFCD09750368, STK177282, AKOS000300465, AN-5865, MCULE-8118283935, AC-19735, AK-92968, BAS 03241722, DS-17735, TR-042470, 7-AMINODESACETOXY-CEPHALOSPORANIC ACID, FT-0082013, FT-0621338, H3039, ST24029865, ST50271102, 051A489, SR-01000318637, SR-01000318637-1, 7-Amino-2-carboxy-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene, 7-amino-2-carboxy-3-methyl-8-oxo-5-thia-1aza-bicyclo[4.2.0]oct-2-ene, 3-methyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, 7-amino-3-methyl-6-oxo-2H,7H,7aH-azetidino[2,1-b]1,3-thiazine-4-carboxylic aci d, 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]-oct-2-ene-2-carboxylic acid, Bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-5-thia-1-aza-, Not Available, 7-aminodesacetoxycephalosporanic acid, UNII-ANM3MSM8TN, C8H10N2O3S, CID1883, C8-H10-N2-O3-S, EINECS 244-870-1, EINECS 247-654-5, 22252-43-3, AR-1H2651, 7-Aminodesacetoxy cephalosporanic acid, EC 244-870-1, (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-trans)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 27262-45-9,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.041g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.239g/mol
Monoisotopic Mass	214.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number