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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22INO3.ClH
Molecular Weight 463.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-IODO-2,5-DIMETHOXYPHENYL)-N-(3-METHOXYBENZYL)ETHAN-1-AMINE HYDROCHLORIDE

SMILES

Cl.COC1=CC=CC(CNCCC2=C(OC)C=C(I)C(OC)=C2)=C1

InChI

InChIKey=NFHNTZHBZCDGKV-UHFFFAOYSA-N
InChI=1S/C18H22INO3.ClH/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2;/h4-6,9-11,20H,7-8,12H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C18H22INO3
Molecular Weight 427.2767
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:16:49 GMT 2025
Edited
by admin
on Mon Mar 31 23:16:49 GMT 2025
Record UNII
C0M5B3T4P3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25I-NB3OME HYDROCHLORIDE
Preferred Name English
2-(4-IODO-2,5-DIMETHOXYPHENYL)-N-(3-METHOXYBENZYL)ETHAN-1-AMINE HYDROCHLORIDE
Systematic Name English
25I-NBOME 3-METHOXY ISOMER (HYDROCHLORIDE)
Common Name English
BENZENEETHANAMINE, 4-IODO-2,5-DIMETHOXY-N-((3-METHOXYPHENYL)METHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
118796513
Created by admin on Mon Mar 31 23:16:49 GMT 2025 , Edited by admin on Mon Mar 31 23:16:49 GMT 2025
PRIMARY
CAS
1566571-63-8
Created by admin on Mon Mar 31 23:16:49 GMT 2025 , Edited by admin on Mon Mar 31 23:16:49 GMT 2025
PRIMARY
FDA UNII
C0M5B3T4P3
Created by admin on Mon Mar 31 23:16:49 GMT 2025 , Edited by admin on Mon Mar 31 23:16:49 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY