U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2',3'-EPOXYSAFROLE, (R)-

SMILES

C([C@@H]1CO1)C2=CC=C3OCOC3=C2

InChI

InChIKey=KZYXVVGEWCXONF-MRVPVSSYSA-N
InChI=1S/C10H10O3/c1-2-9-10(13-6-12-9)4-7(1)3-8-5-11-8/h1-2,4,8H,3,5-6H2/t8-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2',3'-EPOXYSAFROLE, (R)-
Common Name English
(R)-(+)-SAFROLE OXIDE
Systematic Name English
1,3-BENZODIOXOLE, 5-((2R)-2-OXIRANYLMETHYL)-
Systematic Name English
5-(((R)-OXIRANE-2.ALPHA.-YL)METHYL)-1,3-BENZODIOXOLE
Systematic Name English
(R)-2-(1,3-BENZODIOXOLE-5-YLMETHYL)OXIRANE
Systematic Name English
Code System Code Type Description
CAS
210174-65-5
Created by admin on Sat Dec 16 11:39:39 GMT 2023 , Edited by admin on Sat Dec 16 11:39:39 GMT 2023
PRIMARY
FDA UNII
XZ5B92DR6X
Created by admin on Sat Dec 16 11:39:39 GMT 2023 , Edited by admin on Sat Dec 16 11:39:39 GMT 2023
PRIMARY
PUBCHEM
11745184
Created by admin on Sat Dec 16 11:39:39 GMT 2023 , Edited by admin on Sat Dec 16 11:39:39 GMT 2023
PRIMARY
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