AG004S7B

85-73-4 | Phthalylsulfathiazole

AG004S7B

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CAS Number	85-73-4
Catalog Number	AG004S7B(AGN-PC-0JK70Q)
Chemical Name	Phthalylsulfathiazole
EC Number	201-627-4
IUPAC Name	2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
InChI	InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChI Key	PBMSWVPMRUJMPE-UHFFFAOYSA-N
MDL Number	MFCD00005318
Molecular Formula	C17H13N3O5S2
Molecular Weight	403.4322
SMILES	O=C(O)C1=CC=CC=C1C(NC2=CC=C(S(=O)(NC3=NC=CS3)=O)C=C2)=O
UNII	6875L5852V
Synonyms	ftalazol, phthalazol, phthalylsulfathiazole, phthalylsulfathiazole monosodium salt, phthalylsulfathiazole, 85-73-4, Sulfathalidine, Phthalazol, Phthalylsulphathiazole, Phthalazole, Phthalylsulfonazole, Cremothalidine, Sulphaphthalyl, Enteramida, Entexidina, Phtalazol, Phthalylnorsulfazole, Sulfaphthalazole, Intestiazol, Phthalidin, Sulfacetil, Thalistanin, Thalistatyl, Ultratiazol, Ftalazol, Ftalysept, Sulftalyl, Taleudron, Talidine, Taloudron, Thalazole, Thalinil, Entero-sulfina, Ftalil-Esteve, Ftalil-Septol, Phthaloylsulfathiazole, AFI-Ftalyl, Phthalazolum, 4'-(2-Thiazolylsulfamyl)phthalanilic acid, Entexidin, Ftalylsulfathiazol, N4-Phthalylsulfathiazole, Phtalylsulfathiazol, 4'-(2-Thiazolylsulfamoyl)phthalanilic acid, 2-(p-N-Phthalylsulfanilyl)aminothiazole, Phthalylsulfathiazolum, 2-(p-Phthalylaminobenzenesulfamido)thiazole, 2-(N4-Phthalylaminobenzenesulfonamide)thiazole, Ftalilsofatiazolo [DCIT], (o-Carboxybenzoyl)-p-aminophenylsulfonamidothiazole, Phthalylsulfathiazole(PST), Ftalylsulfathiazol [Czech], NSC 66454, NSC 683525, Ftalilsulfatiazol [INN-Spanish], 2-(N(sup4)-Phthalylsulfanilamido)thiazole, Phtalylsulfathiazol [INN-French], 2-(N(sup 4)-Phthalylsulfanilamido)thiazole, UNII-6875L5852V, Phthalylsulfathiazolum [INN-Latin], EINECS 201-627-4, Phthalanilic acid, 4'-(2-thiazolylsulfamoyl)-, 2-((4-(N-(Thiazol-2-yl)sulfamoyl)phenyl)carbamoyl)benzoic acid, Phthalylsulfathiazole [INN], 2-(N(sup 4)-Phthalyaminobenzenesulfonamide)thiazole, 2-(N(sup 4)-Phthalyaminobenzenesulfonamido)thiazole, AI3-18632, MLS002693575, CHEBI:9336, Sulfanilamide, N(sup 4)-(o-carboxybenzoyl)-N'-2-thiazolyl-, Benzoic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-, NSC66454, 2-(N4-phthalylsulfanilamido)thiazole, NSC683525, CAS-85-73-4, NCGC00016337-02, 2-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid, 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid, 2-{[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid, 6875L5852V, 2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid, DSSTox_CID_3470, Benzoic acid, 2-(((4-((2-thiazolylamino)sulfonyl)phenyl)amino)carbonyl)-, Phthalylsulfathiazole (INN), DSSTox_RID_77039, DSSTox_GSID_23470, Ftalilsofatiazolo, Ftalilsulfatiazol, 2-[({4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}amino)carbonyl]benzoic acid, SMR001233366, SR-05000001793, 2-(((4-((2-Thiazolylamino)sulfonyl)phenyl)amino)carbonyl)-benzoic acid, 2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-benzoic acid, Sulfaphtalylthiazol, phthalylsulfathiazol, Prestwick_980, Phthalylsulfathiazole [USP:INN:BAN], Phthalylsulfhathiazole, Phthalylsulphathiozole, Spectrum_000047, AC1L1IZW, Prestwick0_000869, Prestwick1_000869, Prestwick2_000869, Prestwick3_000869, Spectrum3_001486, Spectrum4_000154, Spectrum5_001147, component of Sulfathalidine, EC 201-627-4, Oprea1_620492, BSPBio_000917, BSPBio_003071, KBioGR_000628, KBioSS_000427, MLS002154042, DivK1c_001029, SCHEMBL152662, SPECTRUM1502021, SPBio_002838, AC1Q6W29, BPBio1_001009, CHEMBL1524273, DTXSID8023470, CTK5F5682, HMS503M19, KBio1_001029, KBio2_000427, KBio2_002995, KBio2_005563, KBio3_002571, NINDS_001029, PBMSWVPMRUJMPE-UHFFFAOYSA-N, HMS1570N19, HMS1921D22, HMS2092N19, HMS2097N19, HMS2230G21, HMS3374A01, HMS3714N19, Pharmakon1600-01502021, AC1Q7245, AC1Q7246, HY-B1407, KS-000013AK, ZINC1530877, Tox21_110380, ANW-43278, MFCD00005318, NSC-66454, NSC758159, STK730435, WLN: T5N CSJ BMSWR DMVR BVQ, AKOS000745948, Tox21_110380_1, API0003838, CCG-212977, CS-4862, MCULE-8510277419, NSC-683525, NSC-758159, IDI1_001029, NCGC00016337-01, NCGC00016337-03, NCGC00016337-05, NCGC00094943-01, NCGC00094943-02, AC-19044, AK163563, AN-42323, BAS 00316135, SC-77394, ST072020, SBI-0051702.P002, SBI-0051702.P003, AX8147944, LS-109105, 2-(N4-phthalyaminobenzenesulfonamide)thiazole, AB00052257, FT-0631402, ST24038977, 2-(N4-phthalylaminobenzenesulfonamido)thiazole, C07659, D02440, AB00052257_08, N4-(o-Carboxybenzoyl)-N'-2-thiazolyl-sulfanilamide, SR-05000001793-1, SR-05000001793-3, BRD-K64659768-001-04-5, N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-phthalamic acid, Sulfanilamide, N4-(o-carboxybenzoyl)-N'-2-thiazolyl-, 2-(4-(N-thiazol-2-ylsulfamoyl)phenylcarbamoyl)benzoic acid, N4-Phthalylsulfathiazole, VETRANAL(TM), analytical standard, 2-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)benzoic acid, 2-((4-[(1,3-Thiazol-2-ylamino)sulfonyl]anilino)carbonyl)benzoic acid #, 2-(N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}carbamoyl)benzoic acid, 2-[[[4-[(2-Thiazolylamino)sulfonyl]- phenyl]amino]-carbonyl]benzoic acid, 2-[[[4-[(2-Thiazolylamino)sulfonyl]-phenyl]amino]-carbonyl]benzoic acid, Benzoic acid,2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-, Phthalylsulfathiazole, European Pharmacopoeia (EP) Reference Standard, phthalylsulfatiazol-, phthalylsulfathiazole sodium, C17H13N3O5S2, CID4806, phthalylsulfathiazole monosodium salt, AR-1D7467, C17-H13-N3-O5-S2, CS-O-02104, Phthalylsulfathiazole, 98% - 100G 100g, T0703, 922-29-2,

Complexity	643
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	403.03g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	403.427g/mol
Monoisotopic Mass	403.03g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H412
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

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