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Details

Stereochemistry ACHIRAL
Molecular Formula C29H34INO
Molecular Weight 535.492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IODOMETHYL-N,N-DIETHYLTAMOXIFEN I-123

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=C(\CCC[123I])C2=CC=CC=C2)\C3=CC=CC=C3

InChI

InChIKey=KXYNBQLPUJMLNV-SYFQHKNDSA-N
InChI=1S/C29H34INO/c1-3-31(4-2)22-23-32-27-19-17-26(18-20-27)29(25-14-9-6-10-15-25)28(16-11-21-30)24-12-7-5-8-13-24/h5-10,12-15,17-20H,3-4,11,16,21-23H2,1-2H3/b29-28-/i30-4

HIDE SMILES / InChI

Molecular Formula C29H34INO
Molecular Weight 535.492
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:02:44 GMT 2025
Edited
by admin
on Mon Mar 31 18:02:44 GMT 2025
Record UNII
BT39C5KM9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IODOMETHYL-N,N-DIETHYLTAMOXIFEN I-123
Common Name English
123I-ITX
Preferred Name English
ETHANAMINE, N,N-DIETHYL-2-(4-((1Z)-5-(IODO-123I)-1,2-DIPHENYL-1-PENTENYL)PHENOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
BT39C5KM9C
Created by admin on Mon Mar 31 18:02:44 GMT 2025 , Edited by admin on Mon Mar 31 18:02:44 GMT 2025
PRIMARY
CAS
262266-57-9
Created by admin on Mon Mar 31 18:02:44 GMT 2025 , Edited by admin on Mon Mar 31 18:02:44 GMT 2025
PRIMARY
PUBCHEM
15342655
Created by admin on Mon Mar 31 18:02:44 GMT 2025 , Edited by admin on Mon Mar 31 18:02:44 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED