HALOPENIUM CHLORIDE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30BrClNO.Cl
Molecular Weight	475.29
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HALOPENIUM CHLORIDE

Structure Search

SMILES

[Cl-].CC(C)C1=CC(Cl)=C(C)C=C1OCCC[N+](C)(C)CC2=CC=C(Br)C=C2

InChI

InChIKey=ISVREOQRBYZKHL-UHFFFAOYSA-M

InChI=1S/C22H30BrClNO.ClH/c1-16(2)20-14-21(24)17(3)13-22(20)26-12-6-11-25(4,5)15-18-7-9-19(23)10-8-18;/h7-10,13-14,16H,6,11-12,15H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C22H30BrClNO
Molecular Weight	439.837
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Description
Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA619&lpg=PA619&dq=HALOPENIUM&source=bl&ots=6JTmr3REoA&sig=ACfU3U3etNeFwA85qX17jLBN6Vlfm9rAiA&hl=ru&sa=X&ved=2ahUKEwjQ7rXzqqziAhVr-yoKHd1cACM4ChDoATAFegQIBxAB#v=onepage&q=HALOPENIUM&f=false

Halopenium was studied as an antibacterial and antifungal agent.

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:58:56 GMT 2025` Edited by `admin` on `Mon Mar 31 17:58:56 GMT 2025`
Record UNII	RT6K0322Q7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HALOPENIUM CHLORIDE

Official Name

English

HALOPONE CHLORIDE

Preferred Name

English

halopenium chloride [INN]

Common Name

English

4-BROMOBENZYL(3-(4-CHLORO-5-METHYL-2-ISOPROPYLPHENOXY)PROPYL)DIMETHYLAMMONIUM CHLORIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

Code System Code Type Description

FDA UNII

RT6K0322Q7

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

SMS_ID

100000083944

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

EVMPD

SUB08004MIG

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

CAS

7008-13-1

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

NCI_THESAURUS

C65841

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

ChEMBL

CHEMBL2110890

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

EPA CompTox

DTXSID30990329

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

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PUBCHEM

214344

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

INN

857

Created by admin on Mon Mar 31 17:58:56 GMT 2025 , Edited by admin on Mon Mar 31 17:58:56 GMT 2025

PRIMARY

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