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Hydroxytolbutamide

Hydroxytolbutamide structure

CAS No:
5719-85-7
Formula:
C12H18N2O4S
Chemical Name:
Hydroxytolbutamide
Synonyms:
Benzenesulfonamide,N-[(butylamino)carbonyl]-4-(hydroxymethyl)-;Urea,1-butyl-3-[(α-hydroxy-p-tolyl)sulfonyl]-;N-[(Butylamino)carbonyl]-4-(hydroxymethyl)benzenesulfonamide;Hydroxymethylcarbutamide;Hydroxytolbutamide;Hydroxymethyltolbutamide;1-Butyl-3-(p-hydroxymethylphenyl)sulfonylurea;1-Butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea;42794-31-0
Categories:
Analytical Chemistry > Standard

Description

4-Hydroxytolbutamide (Hydroxytolbutamide) is a metabolite of Tolbutamide. 4-Hydroxytolbutamide is metabolized by CYP2C8 and CYP2C9. Tolbutamide is a first generation potassium channel blocker and a sulfonylurea oral antidiabetic[1][2].

Solid

4-hydroxytolbutamide is a urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position. It has a role as a metabolite. It is a sulfonamide, a member of ureas and a member of benzyl alcohols.

Hydroxytolbutamide Basic Attributes

Molecular Weight：

286.35

Exact Mass：

286.35

EC Number：

200-835-2

UNII：

52K8J94779

DSSTox ID：

DTXSID30205824

HScode：

29350090

Characteristics

PSA：

104

XLogP3：

0.70

Appearance：

white

Density：

1.3±0.1 g/cm3

Melting Point：

101-103 °C @ Solvent: Methanol

Flash Point：

2℃

Refractive Index：

1.553

Water Solubility：

ethanol: 12 mg/mL

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-36/37-24/25

Marks：

F,Xn

Precautionary statement(s)：

P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235

Hazard Statements：

H225-H302 + H312 + H332-H319

Drug Information

Metabolism/Metabolites：

4-Hydroxytolbutamide is a known human metabolite of tolbutamide.

MeSH Entry Terms：

1-butyl-3-(4-hydroxymethylphenyl)sulfonylurea

Hydroxytolbutamide Use and Manufacturing

A metabolite of Tolbutamide.Formed by the cytochrome CYP2CIIC8 and IIC9 subfamily of P450 enzymes

Computed Properties

Molecular Weight:286.35
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:286.09872823
Monoisotopic Mass:286.09872823
Topological Polar Surface Area:104
Heavy Atom Count:19
Complexity:370
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes