AG003SBC

21312-10-7 | Acetylsulfamethoxazole

AG003SBC

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CAS Number	21312-10-7
Catalog Number	AG003SBC(AGN-PC-07Y472)
Chemical Name	Acetylsulfamethoxazole
EC Number	244-330-5
IUPAC Name	N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
InChI	InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChI Key	GXPIUNZCALHVBA-UHFFFAOYSA-N
MDL Number	MFCD00205417
Molecular Formula	C12H13N3O4S
Molecular Weight	295.3143
SMILES	CC(NC1=CC=C(S(=O)(NC2=NOC(C)=C2)=O)C=C1)=O
UNII	3I1988834Q
Synonyms	N(4)-acetylsulfamethoxazole, N(4)-acetylsulphamethoxazole, 21312-10-7, Acetylsulfamethoxazole, N4-Acetylsulfamethoxazole, N-(4-(N-(5-Methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide, 4-Acetylamino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide, SMX-acetate, sulfamethoxazole acetate, N-acetylsulfamethoxazole, Sulfisomezole-N4-acetate, N-Acetyl sulfamethoxazole, N(4)-Acetylsulfisomezole, 4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilide, Sulfisomezole-N(4)-acetate, N(4)-Acetylsulfulfamethoxazole, N4-Acetylsulfisomezole, N4-Acetylsulphamethoxazole, BRN 0285801, Acetylsulfamethoxazole (JAN), N(sup 4)-Acetylsulfisomezole, Sulfisomezole-N(sup 4)-acetate, CHEBI:31169, STX 606, UNII-3I1988834Q, N(sup 4)-Acetylsulfulfamethoxazole, EINECS 244-330-5, N-{4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl}acetamide, NCGC00183871-01, AK126590, N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide, Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-, 3I1988834Q, DSSTox_CID_28970, DSSTox_RID_83235, Acetylsulfamethoxazole [JAN], DSSTox_GSID_49044, Acetanilide, 4'-((5-methyl-3-isoxazolyl)sulfamoyl)-, C12H13N3O4S, N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide, N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)acetamide, N-(4-(((5-Methylisoxazol-3-yl)amino)sulphonyl)phenyl)acetamide, N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide, Acetamide, N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-, CAS-21312-10-7, N(4)-Acetylsulfamethoxazole, N-[4-[(5-Methylisoxazol-3-yl)sulphamoyl]phenyl]acetamide, N-[4-[[(5-Methyl-3-isoxazolyl)amino]sulfonyl]phenyl]acetamide, N-{4-{[(5-Methyl-3-isoxazolyl)amino]sulfonyl}phenyl}acetamide, 4 inverted exclamation mark -Acetyl-3-sulfa-5-methylisoxazole, zlchem 666, Maybridge1_006926, Epitope ID:116043, N4-Acetyl-Sulfamethoxazole, Sulfamethoxazole Impurity A, AC1L22YS, AC1Q6W3H, N4-Acetylsulfulfamethoxazole, Oprea1_529808, Oprea1_653133, ARONIS006387, SCHEMBL1502536, CHEMBL3560298, DTXSID8049044, CTK8H5920, HMS561C18, KS-00000GMH, KS-00003YPE, ZINC89688, ZLD0117, GXPIUNZCALHVBA-UHFFFAOYSA-N, ACT06146, BCP10149, Tox21_113591, CCG-42821, MFCD00205417, STK039900, AKOS000495698, Tox21_113591_1, API0026190, DS-5239, MCULE-2536239556, SDCCGMLS-0065402.P001, TRA0048465, ACM21312107, UPCMLD0ENAT5582698:001, NCGC00183871-02, NCGC00183871-03, NCGC00183871-04, BAS 00656475, CC-17640, LS-10794, SC-66091, AX8013926, BB0283412, DB-045539, FT-0617403, N4-Acetylsulfamethoxazole, analytical standard, C13061, D01601, K-6116, AB00684062-01, C-18502, SR-01000419910, n4-acetyl-n1-(5-methyl-3-isoxazolyl)sulfanilamide, S14-0656, SR-01000419910-1, SR-01000419910-2, Z32429922, 4-ACETYLAMINO-N-(5-METHYL-3-ISOXAZOLYL)BENZENESULF, N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-acetamide, N-(4-([(5-Methyl-3-isoxazolyl)amino]sulfonyl)phenyl)acetamide #, Sulfamethoxazole impurity A, European Pharmacopoeia (EP) Reference Standard, Sulfamethoxazole Related Compound A, United States Pharmacopeia (USP) Reference Standard, Gantanol (TN), Sulfamethoxazole EP Impurity A, CID65280, CS-T-01135, FR-2187, 4-ACETYLAMINO-N- BENZENESULFONAMIDE, N4-Acetylsulfamethoxazole, 98% - 10MG 10mg, 4-27-00-04685 (Beilstein Handbook Reference),

Complexity	440
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.063g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.313g/mol
Monoisotopic Mass	295.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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