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4-Nitrososulfamethoxazole

4-Nitrososulfamethoxazole structure

CAS No:
131549-85-4
Formula:
C10H9N3O4S
Chemical Name:
4-Nitrososulfamethoxazole
Synonyms:
Benzenesulfonamide,N-(5-methyl-3-isoxazolyl)-4-nitroso-;N-(5-Methyl-3-isoxazolyl)-4-nitrosobenzenesulfonamide;4-Nitrososulfamethoxazole
Categories:
Organic Chemistry > Amides

Description

Yellow solidChEBI: A sulfonamide compound having a 4-nitrosophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.

Nitrososulfamethoxazole is a sulfonamide compound having a 4-nitrosophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. It has a role as a metabolite and an allergen. It is a member of isoxazoles, a sulfonamide and a nitroso compound. It derives from a sulfamethoxazole and a sulfanilamide.

4-Nitrososulfamethoxazole Basic Attributes

Molecular Weight：

267.264

Exact Mass：

267.26

DSSTox ID：

DTXSID60157105

Characteristics

PSA：

110

XLogP3：

0.9

Density：

1.53±0.1 g/cm3(Predicted)

Melting Point：

>180°C (dec.)

Boiling Point：

472.9±55.0 °C(Predicted)

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Safety Information

wgk germany：

hazard class code：

36/37/38-43

safety instructions：

26-36/37

Marks：

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

Drug Information

Metabolism/Metabolites：

4-Nitrososulfamethoxazole has known human metabolites that include [(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-oxoazanium.

MeSH Entry Terms：

4-nitrososulfamethoxazole

4-Nitrososulfamethoxazole Use and Manufacturing

A Sulfamethoxazole metabolite

Computed Properties

Molecular Weight:267.26
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:267.03137695
Monoisotopic Mass:267.03137695
Topological Polar Surface Area:110
Heavy Atom Count:18
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 4-Nitrososulfamethoxazole

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Guide of 4-Nitrososulfamethoxazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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4-Nitrososulfamethoxazole

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