BROMHEXINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20Br2N2
Molecular Weight	376.13
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BROMHEXINE

Structure Search

SMILES

CN(CC1=C(N)C(Br)=CC(Br)=C1)C2CCCCC2

InChI

InChIKey=OJGDCBLYJGHCIH-UHFFFAOYSA-N

InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H20Br2N2
Molecular Weight	376.13
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:20:48 UTC 2023` Edited by `admin` on `Fri Dec 15 15:20:48 UTC 2023`
Record UNII	Q1J152VB1P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROMHEXINE

Official Name

English

BROMHEXINE [MI]

Common Name

English

BROMHEXINE [MART.]

Common Name

English

bromhexine [INN]

Common Name

English

Bromhexine [WHO-DD]

Common Name

English

BENZENEMETHANAMINE, 2-AMINO-3,5-DIBROMO-N-CYCLOHEXYL-N-METHYL-

Systematic Name

English

FLUIBRON

Brand Name

English

Classification Tree Code System Code

WHO-ATC

R05CB02

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

LIVERTOX

122

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

WHO-VATC

QR05CB02

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

FDA ORPHAN DRUG

34789

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL253376

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

PRIMARY

DRUG BANK

DB09019

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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FDA UNII

Q1J152VB1P

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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SMS_ID

100000088676

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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NCI_THESAURUS

C172826

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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MERCK INDEX

m2668

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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Merck Index

DRUG CENTRAL

402

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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CAS

3572-43-8

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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ECHA (EC/EINECS)

222-684-1

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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CHEBI

77032

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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EPA CompTox

DTXSID6022686

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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MESH

D001964

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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WIKIPEDIA

BROMHEXINE

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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EVMPD

SUB05914MIG

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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PUBCHEM

2442

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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RXCUI

1753

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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RxNorm

DAILYMED

Q1J152VB1P

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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INN

2584

Created by admin on Fri Dec 15 15:20:48 UTC 2023 , Edited by admin on Fri Dec 15 15:20:48 UTC 2023

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Related Record Type Details


					XJ447D496R

TRANSMEMBRANE PROTEASE SERINE 2

TARGET -> INHIBITOR

Comments:

Activation of TMPRSS2 plays an important role in viral respiratory diseases such as influenza A and Middle East Respiratory Syndrome (MERS). Inhibition of receptor activation and viral entry by bromhexine may be effective in preventing or treating various respiratory illnesses, including COVID-19.5 In vitro studies have suggested the action of ambroxol (a metabolite of bromhexine) on the angiogensin-converting enzyme receptor 2 (ACE2), prevents entry of the viral envelope-anchored spike glycoprotein of SARS-Cov-2 into alveolar cells or increases the secretion of surfactant, preventing viral entry.

Qualification:

IC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Amount:


					YC2ZOM3Z8V

BROMHEXINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					200168S0CL

AMBROXOL

METABOLITE ACTIVE -> PARENT

Comments:

When bromhexine is administered orally, the systemic exposure to ambroxol is much lower (;8-fold; Liu et al., 2010), but since the true molecular action of these agents is not entirely known, it cannot be ascertained whether bromhexine or ambroxol, or both, contribute to activity. Ambroxol has also been associated with a reduction in throat pain, which has triggered investigation into the activity of it and bromhexine at sodium channels (such as NaV1.8 and the tetrodotoxin sensitive channel; Leffler et al., 2010).

Interaction Type:

MAJOR

Qualification:

PLASMA


					QH6ZT6J071

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA


					UYO3WT6H94

3-HYDROXYDEMETHYLBROMHEXINE, TRANS-

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					2G1PAW3G85

3-HYDROXYDEMETHYLBROMHEXINE, CIS-

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA

Related Record Type Details


					Q1J152VB1P

ACTIVE MOIETY