ESCULAMINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H19NO6
Molecular Weight	309.3145
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESCULAMINE

Structure Search

SMILES

CC1=CC(=O)OC2=C1C=C(O)C(O)=C2CN(CCO)CCO

InChI

InChIKey=VQSXXDXNONIOGW-UHFFFAOYSA-N

InChI=1S/C15H19NO6/c1-9-6-13(20)22-15-10(9)7-12(19)14(21)11(15)8-16(2-4-17)3-5-18/h6-7,17-19,21H,2-5,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C15H19NO6
Molecular Weight	309.3145
Charge	0
Count

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

Description
Sources: https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5 | https://www.ncbi.nlm.nih.gov/pubmed/3947727 | https://www.ncbi.nlm.nih.gov/pubmed/3948995

Esculamine is a hemostatic, vasodilator and anti-inflammatory agent.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
[Effect of rutin and esculamine on models of aseptic inflammation].	1986 Jan-Feb	3948995

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:52:25 GMT 2023` Edited by `admin` on `Sat Dec 16 17:52:25 GMT 2023`
Record UNII	4V7NMO33X6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESCULAMINE

Official Name

English

esculamine [INN]

Common Name

English

8-((BIS(2-HYDROXYETHYL)AMINO)METHYL)-6,7-DIHYDROXY-4-METHYLCOUMARIN

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID00183327

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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NCI_THESAURUS

C65536

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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ChEMBL

CHEMBL2106107

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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FDA UNII

4V7NMO33X6

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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MESH

C001158

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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CAS

2908-75-0

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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PUBCHEM

5359551

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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EVMPD

SUB06609MIG

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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INN

2783

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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SMS_ID

100000084584

Created by admin on Sat Dec 16 17:52:25 GMT 2023 , Edited by admin on Sat Dec 16 17:52:25 GMT 2023

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Related Record Type Details


					4V7NMO33X6

ACTIVE MOIETY