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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H20INO3.ClH
Molecular Weight 449.711
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOL, 2-(((2-(4-IODO-2,5-DIMETHOXYPHENYL)ETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1)

SMILES

Cl.COC1=CC(CCNCC2=CC=CC=C2O)=C(OC)C=C1I

InChI

InChIKey=PXODWOUSZUTKOZ-UHFFFAOYSA-N
InChI=1S/C17H20INO3.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20;/h3-6,9-10,19-20H,7-8,11H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENOL, 2-(((2-(4-IODO-2,5-DIMETHOXYPHENYL)ETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
WK4U8JDX2H
Created by admin on Fri Dec 15 18:17:16 UTC 2023 , Edited by admin on Fri Dec 15 18:17:16 UTC 2023
PRIMARY
PUBCHEM
137699643
Created by admin on Fri Dec 15 18:17:16 UTC 2023 , Edited by admin on Fri Dec 15 18:17:16 UTC 2023
PRIMARY PUBCHEM
CAS
1539266-12-0
Created by admin on Fri Dec 15 18:17:16 UTC 2023 , Edited by admin on Fri Dec 15 18:17:16 UTC 2023
PRIMARY