AG000BCQ

116-43-8 | Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-

AG000BCQ

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CAS Number	116-43-8
Catalog Number	AG000BCQ(AGN-PC-0JK779)
Chemical Name	Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-
EC Number	204-141-0
IUPAC Name	4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
InChI	InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)
InChI Key	SKVLYVHULOWXTD-UHFFFAOYSA-N
MDL Number	MFCD00150307
Molecular Formula	C13H13N3O5S2
Molecular Weight	355.3894
SMILES	O=C(O)CCC(NC1=CC=C(S(=O)(NC2=NC=CS2)=O)C=C1)=O
UNII	RSS8647O4S
Synonyms	4'-(2-thiazolylsulfamoyl)succinanilic acid, succinylsulfathiazole, succinylsulfathiazole monohydrate, sulfasuccithiazole, succinylsulfathiazole, 116-43-8, Cremosuxidine, Colistatin, Succinylsulphathiazole, Sulfasuccidine, Sulfasuccinil, Sulfasuxidine, Sulfadigesin, Sulfasuccithiazole, Sulfasuccidin, Sulfenterone, Kaoxidin, Kaoxidine, Rolsul, Thiacyl, 4'-(2-Thiazolylsulfamoyl)succinanilic acid, Succinilsulfatiazol, Succinilsolfatiazolo, Succinylsulfathiazol, Succinylsulfathiazolum, p-2-Thiazolylsulfamylsuccinanilic acid, Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-, UNII-RSS8647O4S, NSC 14193, NSC 163939, Anhydrous Succinylsulfathiazole, 2-(N(sup4)-Succinylsulfanilamido)thiazole, CHEBI:9309, RSS8647O4S, Succinanilic acid, 4'-(2-thiazolylsulfamoyl)-, SKVLYVHULOWXTD-UHFFFAOYSA-N, Succinilsolfatiazolo [DCIT], NSC14193, 2-(N4-Succinylsulfanilamido)thiazole, MFCD00022437, NSC163939, 4-oxo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butanoic acid, NCGC00016367-01, C13H13N3O5S2, CAS-116-43-8, Succinilsulfatiazol [INN-Spanish], Succinylsulfathiazol [INN-French], Succinylsulfathiazolum [INN-Latin], EINECS 204-141-0, DSSTox_CID_25281, DSSTox_RID_80782, BRN 0349989, DSSTox_GSID_45281, 4'-(1,3-Thiazol-2-ylsulphamoyl)succinanilic acid, AI3-26816, 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid, Succinylsulfathiazole (INN), 4-oxo-4-((4-(N-(thiazol-2-yl)sulfamoyl)phenyl)amino)butanoic acid, Butanoic acid, 4-oxo-4-((4-((2-thiazolylamino)sulfonyl)phenyl)amino)-, N4-Succinyl-N-(2-thiazolyl)sulfanilamide, Succinyl sulfathiazole, SR-01000000176, 4-(Succinylamino)-N-(2-thiazolyl)benzenesulfonamide, succinylsulfathiazole[inn], 4-(Succinylamino)-N-(2-thiazolyl)benzenesulfonamide hydrate, Prestwick_1016, Succinylsulfathiazole [USP:INN:BAN], N-succinylsulfathiazole, Spectrum_001389, Maybridge1_006038, Prestwick0_000702, Prestwick1_000702, Prestwick2_000702, Prestwick3_000702, Spectrum2_001946, Spectrum3_001488, Spectrum4_000045, Tharap cat: antimicrobial, ACMC-209u5s, AC1L1K2W, Oprea1_335927, REGID_for_CID_5315, BSPBio_000883, BSPBio_003075, KBioGR_000509, KBioSS_001869, 4-27-00-04637 (Beilstein Handbook Reference), KSC492Q7H, MLS000069715, DivK1c_001028, SCHEMBL151873, SPECTRUM1502025, SPBio_002011, SPBio_002804, Succinylsulfathiazole, >=98%, AC1Q6W23, BPBio1_000973, CHEMBL1484857, DTXSID7045281, CTK3J2873, HMS503M17, HMS558K10, KBio1_001028, KBio2_001869, KBio2_004437, KBio2_007005, KBio3_002575, CCG-439, NINDS_001028, HMS1570M05, HMS1921F06, HMS2092N21, HMS2097M05, HMS2230P18, HMS3373O12, HMS3714M05, Pharmakon1600-01502025, AC1Q7561, HY-B0921, ZINC1532343, Tox21_110400, ANW-43358, NSC-14193, NSC758161, s4585, STK079059, Succinylsulfathiazole, ~95% (TLC), AKOS002161889, Tox21_110400_1, MCULE-7766194789, NSC-163939, NSC-758161, RTR-031131, IDI1_001028, NCGC00016367-02, NCGC00016367-03, NCGC00016367-04, NCGC00016367-05, NCGC00016367-06, NCGC00016367-08, NCGC00022723-03, NCGC00022723-04, AK542548, AN-22759, AS-15960, R534, SC-57927, SMR000058172, SBI-0051704.P002, TR-031131, 4\'-(2-Thiazolylsulfamoyl)succinanilic acid, AB00052259, EU-0083314, FT-0631665, S0581, S0991, ST50036309, C11745, D07060, AB00052259_13, 116S438, N4-Succinyl-N-(2-thiazolyl)sulfanilamide hydrate, J-003439, SR-01000000176-2, SR-01000000176-3, SR-01000000176-4, BRD-K01950558-001-05-5, BRD-K01950558-001-09-7, I04-12387, F0856-0033, 4-oxo-4-(4-(N-thiazol-2-ylsulfamoyl)phenylamino)butanoic acid, 4-oxo-4-((4-((2-thiazolylamino)sulfonyl)phenyl)amino)butanoic acid, 4-Oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amio]-butanoic acid, 4-oxo-4-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino}butanoic acid, 3-(N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}carbamoyl)propanoic acid, 4-Oxo-4-(4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino)butanoic acid #, 4-Oxo-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]amino]butanoic acid monohydrate, Butanoic acid, 4-oxo-4-((4-((2-thiazolylamino)sulfonyl)phenyl)amino)- (9CI), sulfathiazole, Succinylsulfathiazole [INN], CID5315, AR-1L5712, C13-H13-N3-O5-S2, CS-4390, Succinylsulfathiazole, 98% - 100G 100g, 4-Oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]butanoic acid, Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino) sulfonyl]phenyl]amino]-, 118446-32-5,

Complexity	526
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	355.03g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	355.383g/mol
Monoisotopic Mass	355.03g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code	\N

Certificate of Analysis

Lot Number