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

Details

Stereochemistry ACHIRAL
Molecular Formula C52H59NOP.I
Molecular Weight 871.9092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MITOTAM IODIDE

SMILES

[I-].CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)\C6=CC=CC=C6

InChI

InChIKey=PFVXQYHFKAPCMM-AUPGXIAZSA-M
InChI=1S/C52H59NOP.HI/c1-53(2)41-42-54-47-39-37-46(38-40-47)52(45-28-16-10-17-29-45)51(44-26-14-9-15-27-44)36-24-7-5-3-4-6-8-25-43-55(48-30-18-11-19-31-48,49-32-20-12-21-33-49)50-34-22-13-23-35-50;/h9-23,26-35,37-40H,3-8,24-25,36,41-43H2,1-2H3;1H/q+1;/p-1/b52-51-;

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C52H59NOP
Molecular Weight 745.0047
Charge 1
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 Wed Apr 02 13:36:10 GMT 2025
Edited
by admin
on Wed Apr 02 13:36:10 GMT 2025
Record UNII
NH393K3YNR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITOTAM IODIDE
Common Name English
PHOSPHONIUM, ((11Z)-12-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-11,12-DIPHENYL-11-DODECEN-1-,YL)TRIPHENYL-, IODIDE
Preferred Name English
Code System Code Type Description
CAS
1634624-70-6
Created by admin on Wed Apr 02 13:36:10 GMT 2025 , Edited by admin on Wed Apr 02 13:36:10 GMT 2025
PRIMARY
PUBCHEM
86304738
Created by admin on Wed Apr 02 13:36:10 GMT 2025 , Edited by admin on Wed Apr 02 13:36:10 GMT 2025
PRIMARY
FDA UNII
NH393K3YNR
Created by admin on Wed Apr 02 13:36:10 GMT 2025 , Edited by admin on Wed Apr 02 13:36:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY