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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H23IN6O2S
Molecular Weight 526.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICAPAMESPIB

SMILES

CC(C)(C)CNCCN1C(SC2=C(I)C=C3OCOC3=C2)=NC4=C1N=CN=C4N

InChI

InChIKey=UYODNJZBUUEXPC-UHFFFAOYSA-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)

HIDE SMILES / InChI

Molecular Formula C19H23IN6O2S
Molecular Weight 526.394
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 Sat Dec 16 10:37:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:31 GMT 2023
Record UNII
447591A1PU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICAPAMESPIB
INN  
Official Name English
icapamespib [INN]
Common Name English
9H-PURINE-9-ETHANAMINE, 6-AMINO-N-(2,2-DIMETHYLPROPYL)-8-((6-IODO-1,3-BENZODIOXOL-5-YL)THIO)-
Systematic Name English
PU-HZ151
Code English
Code System Code Type Description
PUBCHEM
68185467
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
NCI_THESAURUS
C175796
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
CAS
1000999-96-1
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
FDA UNII
447591A1PU
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
SMS_ID
300000027519
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
INN
11447
Created by admin on Sat Dec 16 10:37:31 GMT 2023 , Edited by admin on Sat Dec 16 10:37:31 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY