U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8
Molecular Weight 128.1705
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZULENE

SMILES

C1=CC2=CC=CC=CC2=C1

InChI

InChIKey=CUFNKYGDVFVPHO-UHFFFAOYSA-N
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

HIDE SMILES / InChI
Molecular Formula C10H8
Molecular Weight 128.1705
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Azulene, a plant metabolite, is the main component of the essential oils of Anthemis pseudocotula. Substituted azulenes are widely applied in medicinal chemistry as antiulcer, antidiabetic, anticancer, anti‐erectile dysfunction and antiarrhythmic agents.

Approval Year

2022
324

PubMed

Substance Class Chemical
Record UNII
82R6M9MGLP
Record Status Validated (UNII)
Record Version
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966