Pargeverine hydrochloride

CAT: 0926-FP65123-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FP65123-01Size:10 mg

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CAS Number

2765-97-1

MDL Number

MFCD00867725

Smiles

CN (C) CCOC (=O) C (C1=CC=CC=C1) (C2=CC=CC=C2) OCC#C.Cl

Molecular Formula

C21H23NO3·HCl

Molecular Weight

373.87 g/mol

Controlled

Chemical Information

Benzeneacetic Acid, alpha-phenyl-alpha-(2-propyn-1-yloxy)-, 2-(dimethylamino)ethyl Ester, Hydrochloride (1:1)

structure

CAS Number	2765-97-1
PubChem CID	53398649
IUPAC Name	2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate;hydrochloride
Molecular Formula	C21H24ClNO3
Molecular Weight	373.9
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	435

SMILES

CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C.Cl

InChI

InChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H

InChIKey

RSBGQTFIHFGTSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2765-97-1

CID: 53398649

Formula: C21H24ClNO3

MW: 373.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	373.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	373.1444713
Monoisotopic Mass	373.1444713
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	435
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-W742955	Pargeverine (hydrochloride)
T202940-01	Pargeverine hydrochloride
RM-P184400-01	Pargeverine
AR-P30392-01	Pargeverine Impurity 1
AR-P01211-01	Pargeverine HCl
AR-P33680-01	Pargeverine Impurity 3 HCl
AR-P33681-01	Pargeverine Impurity 4
AR-P33682-01	Pargeverine N-Oxide
AR-P30393-01	Pargeverine Impurity 2
RM-D270002-01	Denaverine Impurity 1; Pargeverine Impurity 1