Caroverine HCl 5mg

CAT: 0628-A22495-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22495-5Size:5 mg

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CAS Number

55750-05-5

Chemical Information

Caroverine Hydrochloride

See also: Caroverine (has active moiety).

CAS Number	55750-05-5
PubChem CID	3043582
IUPAC Name	1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one;hydrochloride
Molecular Formula	C22H28ClN3O2
Molecular Weight	401.9
Topological Polar Surface Area	45.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	510

SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C22H27N3O2.ClH/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H

InChIKey

JRNWTJUIMRLKBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55750-05-5

CID: 3043582

Formula: C22H28ClN3O2

MW: 401.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	401.1870048
Monoisotopic Mass	401.1870048
Topological Polar Surface Area	45.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	510
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

Catalog	Name
T9133L-01	Caroverine
AR-C01514-01	Caroverine HCl
HY-106467B-01	Caroverine (hydrochloride)
T9133-01	Caroverine hydrochloride
HY-106467BR	Caroverine (hydrochloride) (Standard)