OCTAVERINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H27NO5
Molecular Weight	397.4642
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OCTAVERINE

Structure Search

SMILES

CCOC1=CC(=CC(OCC)=C1OCC)C2=NC=CC3=C2C=C(OC)C(OC)=C3

InChI

InChIKey=NGIFHAUKQGDVSR-UHFFFAOYSA-N

InChI=1S/C23H27NO5/c1-6-27-20-12-16(13-21(28-7-2)23(20)29-8-3)22-17-14-19(26-5)18(25-4)11-15(17)9-10-24-22/h9-14H,6-8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C23H27NO5
Molecular Weight	397.4642
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/13143490

Octaverine possesses a spasmolytic activity. Information about the current development of this compound is not available.

Approval Year

PubMed

PubMed

Title	Date	PubMed
A comparative study of the action of octaverine perparine and papaverine on the circulatory and respiratory systems.	1954 Apr	13152661
A comparative study of the spasmolytic activities of octaverine, perparine and papaverine.	1954 Mar	13143490

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:43 GMT 2023` Edited by `admin` on `Fri Dec 15 15:37:43 GMT 2023`
Record UNII	ZZE2Y51ZIZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCTAVERINE

Official Name

English

octaverine [INN]

Common Name

English

OCTAVERINE [MI]

Common Name

English

6,7-DIMETHOXY-1-(3,4,5-TRIETHOXYPHENYL)ISOQUINOLINE

Systematic Name

English

Octaverine [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29696

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

NCI_THESAURUS

C29698

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

Code System Code Type Description

NCI_THESAURUS

C90894

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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PUBCHEM

68363

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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EPA CompTox

DTXSID1046213

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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CAS

549-68-8

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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SMS_ID

100000083844

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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ECHA (EC/EINECS)

208-976-1

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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FDA UNII

ZZE2Y51ZIZ

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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EVMPD

SUB09409MIG

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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MERCK INDEX

m857

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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Merck Index

INN

2409

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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ChEMBL

CHEMBL1450290

Created by admin on Fri Dec 15 15:37:43 GMT 2023 , Edited by admin on Fri Dec 15 15:37:43 GMT 2023

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Related Record Type Details


					A9NCY4YZ0H

OCTAVERINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					ZZE2Y51ZIZ

ACTIVE MOIETY