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Albendazole sulfone

Albendazole sulfone structure

CAS No:
75184-71-3
Formula:
C12H15N3O4S
Chemical Name:
Albendazole sulfone
Synonyms:
Carbamic acid,N-[6-(propylsulfonyl)-1H-benzimidazol-2-yl]-,methyl ester;Carbamic acid,[5-(propylsulfonyl)-1H-benzimidazol-2-yl]-,methyl ester;Albendazole sulfone;Methyl [5-(propylsulfonyl)-1H-benzimidazol-2-yl]carbamate;[5-(Propane-1-sulfonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester;76567-28-7
Categories:
Analytical Chemistry > Standard

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Description

Yellow Solid

Albendazole sulfone is an organic sulfide.

Albendazole sulfone Basic Attributes

Molecular Weight：

297.33

Exact Mass：

297.33

UNII：

1UIC88380G

DSSTox ID：

DTXSID00226167

HScode：

29339900

Characteristics

PSA：

110

XLogP3：

3.07870

Density：

1.42g/cm3

Melting Point：

226-227 °C

Refractive Index：

1.619

Water Solubility：

Soluble in DMSO, and methanol.

Storage Conditions：

-20°C Freezer

Collision Cross Section：

173 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|188.2 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

63-36/38

safety instructions：

26-36/37

RTECS Number：

DD6520700

Marks：

Precautionary statement(s)：

P281-P305 + P351 + P338

Hazard Statements：

H315-H319-H361d

Drug Information

Drug Transformations：

Albendazole sulfone is a known transformation product of Albendazole.

MeSH：

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)

MeSH Entry Terms：

albendazole sulfone

Albendazole sulfone Use and Manufacturing

Uses

A metabolite of Albendazole, an anthelmintic

Use Classification：

Pharmaceuticals|Pharmaceuticals -> Anthelmintics -> Transformation products

Computed Properties

Molecular Weight:297.33
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:297.07832714
Monoisotopic Mass:297.07832714
Topological Polar Surface Area:110
Heavy Atom Count:20
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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