Ethaverine hydrobromide

CAT: 0926-FJB70163-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FJB70163-01Size:5 mg

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CAS Number

855701-63-2

Smiles

CCOC1=C (C=C (C=C1) CC2=NC=CC3=CC (=C (C=C32) OCC) OCC) OCC.Br

Molecular Formula

C24H30BrNO4

Molecular Weight

476.4 g/mol

Controlled

Chemical Information

Ethaverine Hydrobromide

CAS Number	855701-63-2
PubChem CID	91885456
IUPAC Name	1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;hydrobromide
Molecular Formula	C24H30BrNO4
Molecular Weight	476.4
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	462

SMILES

CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.Br

InChI

InChI=1S/C24H29NO4.BrH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-12,14-16H,5-8,13H2,1-4H3;1H

InChIKey

YRTGNDNAEHCMPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 855701-63-2

CID: 91885456

Formula: C24H30BrNO4

MW: 476.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	476.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	475.13582
Monoisotopic Mass	475.13582
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	462
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
AAA98513-01	Ethaverine hydrochloride
ZCA11510-01	SKF83822 hydrobromide
SIC05275	Tazemetostat hydrobromide
FH15701-01	Galanthamine hydrobromide
FD146330	Dextromethorphan hydrobromide
FC64980-01	Citalopram hydrobromide
FB18186-01	Benzethidine hydrobromide
XPC92115-01	Remodelin hydrobromide
IDA64641-01	Julolidine hydrobromide
ACA72232	(±) -Glaucine hydrobromide

Catalog	Name
448532	Ethaverine Hydrobromide
sc-499117	Ethaverine
T0369-01	Ethaverine hydrochloride
HY-B1440-01	Ethaverine (hydrochloride)
MBS5765806	Ethaverine HBr
MBS577361	Ethaverine HCl
HY-B1440R	Ethaverine (hydrochloride) (Standard)
AR-D07794-01	Drotaverine Impurity 3 (Ethaverine)
RM-D331001-01	Ethaverine; Drotaverine Impurity 1
OR1037869-01	Carbamimidic bromide hydrobromide (hydrobromide)