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Talinolol

CAT: 1596-AR-T01121-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01121-02Size:25 Units
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CAS Number
57460-41-0
Synonyms
1- (4- (3- (tert-butylamino) -2-hydroxypropoxy) phenyl) -3-cyclohexylurea; 1- (4- (cyclohexylureido) phenoxy) -3- (tert-butylamino) -2-propanol; 1- (3- (3-Cyclohexylureido) phenoxy) -3- (tert-butylamino) -2-propanol; 1-{4-[3- (tert-butylamino) -2-hydroxypropoxy]phenyl}-3-cyclohexylurea; 1- (4-Cyclohexylureidophenoxy) -2-hydroxy-3-tert-butylaminopropane; Cordanum
Molecular Formula
C20H33N3O3
Molecular Weight
363.5
API Name
Talinolol

Chemical Information

Talinolol

Talinolol is a member of ureas.

CAS Number57460-41-0
PubChem CID68770
IUPAC Name1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
Molecular FormulaC20H33N3O3
Molecular Weight363.5
XLogP2.6
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity411
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
InChIKey
MXFWWQICDIZSOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Talinolol
CAS: 57460-41-0
CID: 68770
Formula: C20H33N3O3
MW: 363.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.5
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass363.25219192
Monoisotopic Mass363.25219192
Topological Polar Surface Area82.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes