Sulfamethoxazole Impurity 8

CAT: 1299-RM-S210108-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S210108-01Size:10 mg

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CAS Number

1416441-24-1

Synonyms

4-amino-N- (4,5-dihydroxy-5-methyl-4,5-dihydroisoxazol-3-yl) benzenesulfonamide

Molecular Formula

C10H13N3O5S

Molecular Weight

287.29

Target Alternative Name

Sulfamethoxazole

Product Name Synonym

4-amino-N- (4,5-dihydroxy-5-methyl-4,5-dihydroisoxazol-3-yl) benzenesulfonamide

Chemical Information

Sulfamethoxazole Impurity 8

CAS Number	1416441-24-1
PubChem CID	177829266
IUPAC Name	4-amino-N-(4,5-dihydroxy-5-methyl-1,2-oxazolidin-3-ylidene)benzenesulfonamide
Molecular Formula	C10H13N3O5S
Molecular Weight	287.29
XLogP	-0.9
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	466

SMILES

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

InChI

InChI=1S/C10H13N3O5S/c1-10(15)8(14)9(12-18-10)13-19(16,17)7-4-2-6(11)3-5-7/h2-5,8,14-15H,11H2,1H3,(H,12,13)

InChIKey

FZQPTDNMXRTHFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1416441-24-1

CID: 177829266

Formula: C10H13N3O5S

MW: 287.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.29
XLogP3	-0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	287.05759170
Monoisotopic Mass	287.05759170
Topological Polar Surface Area	143 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-S210101-01	Sulfamethoxazole EP Impurity A
RM-S210107-01	Sulfamethoxazole Impurity 7
RM-S210109-01	Sulfamethoxazole Impurity 9
RM-S210102-01	Sulfamethoxazole EP Impurity B
RM-S210106-01	Sulfamethoxazole EP Impurity F
RM-S210100-01	Sulfamethoxazole
RM-S210110-01	Sulfamethoxazole-d4
RM-S210111-01	Sulfamethoxazole-13C6
RG-A131401-01	3-Amino-5-methylisoxazole; Sulfamethoxazole EP Impurity C
RM-S210128-01	Sulfamethoxazole N4-Glucoside

Catalog	Name
AR-S10963-01	Sulfamethoxazole Impurity 3
AR-S02032-01	Sulfamethoxazole Impurity 1
AR-S08132-01	Sulfamethoxazole EP Impurity A
CS-O-62904	Sulfamethoxazole Nitroso Impurity 1
AR-O23345-01	Sulfamethoxazole EP Impurity C
AR-S08129-01	Sulfamethoxazole EP Impurity F
CS-T-37303	Sulfamethoxazole Nitroso Impurity 2
AR-S10964-01	Sulfamethoxazole Impurity 3-d4
AR-B12303-01	Sulfamethoxazole EP Impurity B
KL-02-02280	Sulfamethoxazole EP Impurity E