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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20INO4.ClH
Molecular Weight 477.721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25I-NBMD HYDROCHLORIDE

SMILES

Cl.COC1=CC(CCNCC2=C3OCOC3=CC=C2)=C(OC)C=C1I

InChI

InChIKey=QKMOLNYYXDCGFL-UHFFFAOYSA-N
InChI=1S/C18H20INO4.ClH/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15;/h3-5,8-9,20H,6-7,10-11H2,1-2H3;1H

HIDE SMILES / InChI

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

Molecular Formula C18H20INO4
Molecular Weight 441.2602
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
0.049 nM [Ki]
PubMed

PubMed

TitleDatePubMed
Molecular interaction of serotonin 5-HT2A receptor residues Phe339(6.51) and Phe340(6.52) with superpotent N-benzyl phenethylamine agonists.
2006 Dec
Structural elucidation and identification of a new derivative of phenethylamine using quadrupole time-of-flight mass spectrometry.
2013 Sep 30
High-performance liquid chromatography with tandem mass spectrometry for the determination of nine hallucinogenic 25-NBOMe designer drugs in urine specimens.
2014 Apr
Effects of the hallucinogen 2,5-dimethoxy-4-iodophenethylamine (2C-I) and superpotent N-benzyl derivatives on the head twitch response.
2014 Feb
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:33:18 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:18 GMT 2023
Record UNII
7Q6FBE3EOC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25I-NBMD HYDROCHLORIDE
Common Name English
1,3-BENZODIOXOLE-4-METHANAMINE, N-(2-(4-IODO-2,5-DIMETHOXYPHENYL)ETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
7Q6FBE3EOC
Created by admin on Sat Dec 16 15:33:18 GMT 2023 , Edited by admin on Sat Dec 16 15:33:18 GMT 2023
PRIMARY
PUBCHEM
137699642
Created by admin on Sat Dec 16 15:33:18 GMT 2023 , Edited by admin on Sat Dec 16 15:33:18 GMT 2023
PRIMARY
CAS
1539266-14-2
Created by admin on Sat Dec 16 15:33:18 GMT 2023 , Edited by admin on Sat Dec 16 15:33:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY