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(±)-Albendazole sulfoxide

(±)-Albendazole sulfoxide structure

CAS No:
54029-12-8
Formula:
C12H15N3O3S
Chemical Name:
(±)-Albendazole sulfoxide
Synonyms:
Carbamic acid,N-[6-(propylsulfinyl)-1H-benzimidazol-2-yl]-,methyl ester;Carbamic acid,[5-(propylsulfinyl)-1H-benzimidazol-2-yl]-,methyl ester;Albendazole sulfoxide;RS 8852;Albendazole oxide;Ricobendazole;Rycobendazole;(±)-Albendazole sulfoxide;Methyl [5-(propylsulfinyl)-1H-benzimidazol-2-yl]carbamate;122063-18-7
Categories:
Active Pharmaceutical Ingredients > Antiparasitic Drugs

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Description

White to Off-White Powder

Solid

Albendazole S-oxide is a sulfoxide. It derives from an albendazole.

(±)-Albendazole sulfoxide Basic Attributes

Molecular Weight：

281.33100

Exact Mass：

281.33

DSSTox ID：

DTXSID4057768

HScode：

29339900

Characteristics

PSA：

103.29000

XLogP3：

1.4

Appearance：

Solid

Density：

1.458g/cm3

Melting Point：

218-220 °C

Boiling Point：

357.3ºC at 760 mmHg

Flash Point：

169.9ºC

Refractive Index：

1.625

Water Solubility：

62mg/L(25 ºC)

Storage Conditions：

-20ºC Freezer

Collision Cross Section：

169.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|187.7 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：

safety instructions：

24/25

RTECS Number：

FD1080000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (98.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P308+P313, P309+P311, P314, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 75 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

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.)|Agents used to treat tapeworm infestations in man or animals. (See all compounds classified as Anticestodal Agents.)

Metabolism/Metabolites：

Albendazole oxide is a known human metabolite of albendazole.

MeSH Entry Terms：

albendazole sulfoxide

(±)-Albendazole sulfoxide Use and Manufacturing

Methods of Manufacturing

General procedure: In a 25mL reaction tube, add uranyl acetate hydrate (1.7mg, 4 * 10-3mmol), 4-methylphenyl (n-butyl) sulfide (36.0 mg, 0.2 mmol), water (36 mg, 2 mmol), phosphoric acid (12 muL, 0.2 mmol), acetonitrile (1 mL), evacuate for oxygen, Stir for 24 hours under three 2 watt LED lights, After the reaction is completed, it is dried, filtered, and concentrated.The colorless liquid 2a (37.2 mg, 95%) was separated by column chromatography (PE / EA = 2/1).(6) Preparation of [5-(Propylsulfinyl)-1H-benzimidazol-2-yl]carbamic acid, methyl ester To 3.56 g (18 mMol) 4-(1-propylsulfinyl)-1, 2-diaminobenzene in 45 ml methanol is added 1.03 ml acetic acid and 3.84 g (19.8 mMol) 1, 3-bis(methoxycarbonyl)-S-methyl isothiourea. The resulting solution is heated to reflux for 21/2 hours, cooled and the solvent stripped. The white solid is digested with water, filtered, washed with ether and dried to yield 4.1 g of the title compound in the form of a white solid, m.p. 215-216, yield 81%.

Uses

Used as an insect repellent

Computed Properties

Molecular Weight:281.33
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:281.08341252
Monoisotopic Mass:281.08341252
Topological Polar Surface Area:103
Heavy Atom Count:19
Complexity:353
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Albendazole

Downstream Products

Albendazole

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Guide of (±)-Albendazole sulfoxide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Latest News
Learn More Other Chemicals

(±)-Albendazole sulfoxide

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