Sulfamethoxazole EP Impurity B

CAT: 1596-AR-B12303-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B12303-01Size:25 Units

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CAS Number

135529-16-7

Synonyms

4-Amino-N-[4-[[ (5-methyl-3-isoxazolyl) amino]sulfonyl]phenyl]benzenesulfonamide; N- (4-Aminobenzenesulfonyl) Sulfamethoxazole

Molecular Formula

C16H16N4O5S2

Molecular Weight

408.45

API Name

Sulfamethoxazole

Chemical Information

4-Amino-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzenesulfonamide

N-(4-Aminobenzenesulfonyl) Sulfamethoxazole is a member of benzenes and a sulfonamide.

CAS Number	135529-16-7
PubChem CID	71313144
IUPAC Name	4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
Molecular Formula	C16H16N4O5S2
Molecular Weight	408.5
XLogP	1.4
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	687

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H16N4O5S2/c1-11-10-16(18-25-11)20-27(23,24)15-8-4-13(5-9-15)19-26(21,22)14-6-2-12(17)3-7-14/h2-10,19H,17H2,1H3,(H,18,20)

InChIKey

ULRBBWWPWOJYFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135529-16-7

CID: 71313144

Formula: C16H16N4O5S2

MW: 408.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.5
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	408.05621197
Monoisotopic Mass	408.05621197
Topological Polar Surface Area	161 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-S08132-01	Sulfamethoxazole EP Impurity A
AR-O23345-01	Sulfamethoxazole EP Impurity C
AR-S08129-01	Sulfamethoxazole EP Impurity F
AR-P07396-01	Sulfamethoxazole EP Impurity E
AR-S10962-01	Sulfamethoxazole EP Impurity A-d4 (Sulfamethoxazole USP Related Compound A-d4)
AR-S10963-01	Sulfamethoxazole Impurity 3
AR-S02032-01	Sulfamethoxazole Impurity 1
AR-N08134-01	Naloxone EP Impurity A (Naltrexone EP Impurity B)
AR-P02106-01	Povidone EP Impurity B (Piracetam EP Impurity A)
AR-T01738-01	Epirubicin EP Impurity B (Daunorubicin EP Impurity A)

Catalog	Name
RM-S210101-01	Sulfamethoxazole EP Impurity A
RM-S210107-01	Sulfamethoxazole Impurity 7
RM-S210108-01	Sulfamethoxazole Impurity 8
RM-S210109-01	Sulfamethoxazole Impurity 9
RM-S210102-01	Sulfamethoxazole EP Impurity B
CS-O-62904	Sulfamethoxazole Nitroso Impurity 1
CS-T-37303	Sulfamethoxazole Nitroso Impurity 2
RM-S210106-01	Sulfamethoxazole EP Impurity F
KL-02-02280	Sulfamethoxazole EP Impurity E
RG-A131401-01	3-Amino-5-methylisoxazole; Sulfamethoxazole EP Impurity C