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Details

Stereochemistry ACHIRAL
Molecular Formula C26H34IN7O2
Molecular Weight 601.4985
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of APT I-125

SMILES

NC1=C([125I])C=C(C=C1)C(=O)NCCN\C(NC#N)=N\CCCOC2=CC=CC(CN3CCCCC3)=C2

InChI

InChIKey=VJTYCMQYDRXNNY-ALRLDUCRSA-N
InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)/i27-2

HIDE SMILES / InChI

Molecular Formula C26H34IN7O2
Molecular Weight 601.4985
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 Sat Dec 16 19:59:20 UTC 2023
Edited
by admin
on Sat Dec 16 19:59:20 UTC 2023
Record UNII
7V2P9T4UB4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APT I-125
Common Name English
Benzamide, 4-amino-N-[2-[[(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]methylene]amino]ethyl]-3-(iodo-125I)-
Systematic Name English
125I-APT
Common Name English
125I-Aminopotentidine
Common Name English
[125I]APT
Common Name English
Code System Code Type Description
PUBCHEM
73755000
Created by admin on Sat Dec 16 19:59:20 UTC 2023 , Edited by admin on Sat Dec 16 19:59:20 UTC 2023
PRIMARY
FDA UNII
7V2P9T4UB4
Created by admin on Sat Dec 16 19:59:20 UTC 2023 , Edited by admin on Sat Dec 16 19:59:20 UTC 2023
PRIMARY
CAS
142828-09-9
Created by admin on Sat Dec 16 19:59:20 UTC 2023 , Edited by admin on Sat Dec 16 19:59:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND
Kd
NON-LABELED -> LABELED