HEXOBENDINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H44N2O10
Molecular Weight	592.6778
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2

InChI

InChIKey=KRQAMFQCSAJCRH-UHFFFAOYSA-N

InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3

HIDE SMILES / InChI

Molecular Formula	C30H44N2O10
Molecular Weight	592.6778
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20501198 | https://www.ncbi.nlm.nih.gov/pubmed/1168469 | https://www.ncbi.nlm.nih.gov/pubmed/5331101 | https://www.ncbi.nlm.nih.gov/pubmed/4885101 | https://www.ncbi.nlm.nih.gov/pubmed/6056177

Hexobendine (Ustimon or ST7090) is a vasodilator. It inhibits uptake of adenosine and cAMP. Hexobendine was investigated in clinical trials for the treatment of cerebrovascular and coronary artery diseases.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium channel alpha subunits; brain (Types I, II, III) 28 Target ID: CHEMBL2096682 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2579237	Inhibitor 8297		1.4 µM [IC50]
adenosine metabolic process 2 Target ID: GO:0046085 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1168469 \| https://www.ncbi.nlm.nih.gov/pubmed/744550	Modulator 828		0.7 µM [IC50]

PubMed

Title	Date	PubMed
[The use of instenon in children with minimal brain dysfunction].	2002	12087730
[Pharmacological prevention of cerebrovascular complications in cardiac patients after coronary artery bypass surgery].	2003	12830521
[Use of instenon in complex treatment of patients with optic nerve atrophy caused by craniocerebral trauma].	2003 Nov-Dec	14708165
Short-term and long-term cognitive function and cerebral perfusion in off-pump and on-pump coronary artery bypass patients.	2006 Jan	16337804
Release of adenosine and ATP during ischemia and epilepsy.	2009 Sep	20190959

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:14:40 GMT 2023` Edited by `admin` on `Fri Dec 15 15:14:40 GMT 2023`
Record UNII	B6X4SYR93B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXOBENDINE

Official Name

English

Hexobendine [WHO-DD]

Common Name

English

HEXOBENDINE [MART.]

Common Name

English

HEXOBENDINE [MI]

Common Name

English

3,4,5-TRIMETHOXYBENZOIC ACID, DIESTER WITH 3,3'-(ETHYLENEBIS(METHYLIMINO))DI-1-PROPANOL

Common Name

English

HEXOBENDINE [USAN]

Common Name

English

hexobendine [INN]

Common Name

English

BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1,2-ETHANEDIYLBIS((METHYLIMINO)-3,1-PROPANEDIYL) ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

WHO-ATC

C01DX06

Created by admin on Fri Dec 15 15:14:40 GMT 2023 , Edited by admin on Fri Dec 15 15:14:40 GMT 2023

WHO-VATC

QC01DX06

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

Code System Code Type Description

DRUG CENTRAL

1370

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

PRIMARY

DRUG BANK

DB13265

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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EPA CompTox

DTXSID20202302

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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ChEMBL

CHEMBL127300

Created by admin on Fri Dec 15 15:14:40 GMT 2023 , Edited by admin on Fri Dec 15 15:14:40 GMT 2023

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WIKIPEDIA

HEXOBENDINE

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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PUBCHEM

5777

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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SMS_ID

100000083960

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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ECHA (EC/EINECS)

200-189-1

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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NCI_THESAURUS

C83755

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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FDA UNII

B6X4SYR93B

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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INN

1759

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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CAS

54-03-5

Created by admin on Fri Dec 15 15:14:40 GMT 2023 , Edited by admin on Fri Dec 15 15:14:40 GMT 2023

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EVMPD

SUB08039MIG

Created by admin on Fri Dec 15 15:14:40 GMT 2023 , Edited by admin on Fri Dec 15 15:14:40 GMT 2023

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MERCK INDEX

m6011

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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Merck Index

RXCUI

5303

Created by admin on Fri Dec 15 15:14:41 GMT 2023 , Edited by admin on Fri Dec 15 15:14:41 GMT 2023

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RxNorm

Related Record Type Details


					B6X4SYR93B

HEXOBENDINE

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/20501198 | https://www.ncbi.nlm.nih.gov/pubmed/1168469 | https://www.ncbi.nlm.nih.gov/pubmed/5331101 | https://www.ncbi.nlm.nih.gov/pubmed/4885101 | https://www.ncbi.nlm.nih.gov/pubmed/6056177

Approval Year

Targets

PubMed

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20501198 | https://www.ncbi.nlm.nih.gov/pubmed/1168469 | https://www.ncbi.nlm.nih.gov/pubmed/5331101 | https://www.ncbi.nlm.nih.gov/pubmed/4885101 | https://www.ncbi.nlm.nih.gov/pubmed/6056177