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Hydroxy tolbutamide

CAT: 1596-AR-T02515-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
5719-85-7
Synonyms
N- (Butylamnocarbonyl) -4-hydroxymethylbenzenesulfonamide; Hydroxytolbutamide; Hydroxymethylcarbutamide; 1-Butyl-3- (p-hydroxymethylphenyl) sulfonylurea
Molecular Formula
C12H18N2O4S
Molecular Weight
286.35
API Name
Tolbutamide

Chemical Information

Hydroxytolbutamide

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 member of benzyl alcohols, a sulfonamide and a member of ureas.

CAS Number5719-85-7
PubChem CID3656
IUPAC Name1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea
Molecular FormulaC12H18N2O4S
Molecular Weight286.35
XLogP1.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity370
SMILES
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CO
InChI
InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKey
SJRHYONYKZIRPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxytolbutamide
CAS: 5719-85-7
CID: 3656
Formula: C12H18N2O4S
MW: 286.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.35
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass286.09872823
Monoisotopic Mass286.09872823
Topological Polar Surface Area104 Ų
Heavy Atom Count19
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FH24142-01Hydroxy tolbutamide
TRC-H969852-1MGHydroxy Tolbutamide-d9
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