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 C18H22INO3
Molecular Weight 427.2767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25I-NBOME

SMILES

COC1=CC(CCNCC2=C(OC)C=CC=C2)=C(OC)C=C1I

InChI

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

HIDE SMILES / InChI

Molecular Formula C18H22INO3
Molecular Weight 427.2767
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

Approval Year

Substance Class Chemical
Record UNII
547KGL06IP
Record Status Validated (UNII)
Record Version