HEMICHOLINIUM DIBROMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C24H34N2O4.2Br
Molecular Weight	574.346
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[Br-].[Br-].C[N+]1(C)CCOC(O)(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(O)C[N+](C)(C)CCO4

InChI

InChIKey=OPYKHUMNFAMIBL-UHFFFAOYSA-L

InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	C24H32N2O4
Molecular Weight	412.5219
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count	MOL RATIO 2 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Choline uptake 2	Inhibitor 8,504		18.0 nM [IC50]
Adenosine A3 receptor 24	Antagonist 2,849		12.0 nM [IC50]

PubMed

PubMed

Show entries

Title	Date	PubMed
H3 receptor-mediated inhibition of intestinal acetylcholine release: pharmacological characterization of signal transduction pathways.	2001 Feb	11219402
Synthesis and evaluation of 18F-labeled choline as an oncologic tracer for positron emission tomography: initial findings in prostate cancer.	2001 Jan 1	11196147
In vivo assessment of acetylcholine-releasing function at cardiac vagal nerve terminals.	2001 Jul	11406478
Stimuli that induce a cholinergic neuronal phenotype of NG108-15 cells upregulate ChAT and VAChT mRNAs but fail to increase VAChT protein.	2001 Mar 1	11306187
Assessment of choline uptake for the synthesis and release of acetylcholine in brain slices by a dynamic autoradiographic technique using [11C]choline.	2002 Aug	12379431

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Substance Class	Chemical
Record UNII	65NY3I7ZD0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-527583

Preferred Name

English

HEMICHOLINIUM DIBROMIDE

Common Name

English

HEMICHOLINE

Common Name

English

HEMICHOLINIUM BROMIDE

Common Name

English

HC-3

Common Name

English

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Code System

Code

Type

Description

PUBCHEM

9399

PRIMARY

EPA CompTox

DTXSID80883358

PRIMARY

WIKIPEDIA

Hemicholinium-3

PRIMARY

CAS

312-45-8

PRIMARY

MERCK INDEX

m5948

PRIMARY

Merck Index

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