Bevantolol Impurity 4

CAT: 1299-RM-B632004-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B632004-02Size:25 mg

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CAS Number

747351-40-2

Synonyms

1- ((3,4-dimethoxyphenethyl) amino) -3- (o-tolyloxy) propan-2-ol

Molecular Formula

C20H27NO4

Molecular Weight

345.44

Target Alternative Name

Bevantolol

Product Name Synonym

1- ((3,4-dimethoxyphenethyl) amino) -3- (o-tolyloxy) propan-2-ol

Chemical Information

Bevantolol Impurity 12

CAS Number	747351-40-2
PubChem CID	176486360
IUPAC Name	1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
Molecular Formula	C20H27NO4
Molecular Weight	345.4
XLogP	3
Topological Polar Surface Area	60
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	25
Formal Charge	0
Complexity	355

SMILES

CC1=CC=CC=C1OCC(CNCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H27NO4/c1-15-6-4-5-7-18(15)25-14-17(22)13-21-11-10-16-8-9-19(23-2)20(12-16)24-3/h4-9,12,17,21-22H,10-11,13-14H2,1-3H3

InChIKey

PSJQVDKRUUREGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 747351-40-2

CID: 176486360

Formula: C20H27NO4

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	345.19400834
Monoisotopic Mass	345.19400834
Topological Polar Surface Area	60 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B07082-01	Bevantolol Impurity 1 HCl
T61138-01	Bevantolol
HY-121186-01	Bevantolol (hydrochloride)
TRC-B334500-10MG	Bevantolol Hydrochloride
264123-01	Bevantolol HCl
HY-121186R	Bevantolol (hydrochloride) (Standard)