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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23IN6O2S
Molecular Weight 523.396
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICAPAMESPIB I-124

SMILES

CC(C)(C)CNCCN1C(SC2=CC3=C(OCO3)C=C2[124I])=NC4=C(N)N=CN=C14

InChI

InChIKey=UYODNJZBUUEXPC-ZEMUAQPOSA-N
InChI=1S/C19H23IN6O2S/c1-19(2,3)8-22-4-5-26-17-15(16(21)23-9-24-17)25-18(26)29-14-7-13-12(6-11(14)20)27-10-28-13/h6-7,9,22H,4-5,8,10H2,1-3H3,(H2,21,23,24)/i20-3

HIDE SMILES / InChI

Molecular Formula C19H23IN6O2S
Molecular Weight 523.396
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:30:01 GMT 2025
Edited
by admin
on Tue Apr 01 16:30:01 GMT 2025
Record UNII
Q1J3TQ99O2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9H-PURINE-9-ETHANAMINE, 6-AMINO-N-(2,2-DIMETHYLPROPYL)-8-((6-(IODO-124I)-1,3-BENZODIOXOL-5-YL)THIO)-
Preferred Name English
ICAPAMESPIB I-124
Common Name English
8-((6-(124I)-IODOBENZO(D)(1,3)DIOXOL-5-YL)THIO)-9-(2-NEOPENTYLAMINO)ETHYL)-9H-PURIN-6-AMINE
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C128487
Created by admin on Tue Apr 01 16:30:01 GMT 2025 , Edited by admin on Tue Apr 01 16:30:01 GMT 2025
PRIMARY
FDA UNII
Q1J3TQ99O2
Created by admin on Tue Apr 01 16:30:01 GMT 2025 , Edited by admin on Tue Apr 01 16:30:01 GMT 2025
PRIMARY
CAS
1450804-65-5
Created by admin on Tue Apr 01 16:30:01 GMT 2025 , Edited by admin on Tue Apr 01 16:30:01 GMT 2025
PRIMARY
PUBCHEM
90364125
Created by admin on Tue Apr 01 16:30:01 GMT 2025 , Edited by admin on Tue Apr 01 16:30:01 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY