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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H17F2N5O3S
Molecular Weight 505.496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMIPALISIB

SMILES

COC1=NC=C(C=C1NS(=O)(=O)C2=CC=C(F)C=C2F)C3=CC=C4N=CC=C(C5=CC=NN=C5)C4=C3

InChI

InChIKey=CGBJSGAELGCMKE-UHFFFAOYSA-N
InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

HIDE SMILES / InChI

Molecular Formula C25H17F2N5O3S
Molecular Weight 505.496
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 10:31:47 UTC 2023
Edited
by admin
on Sat Dec 16 10:31:47 UTC 2023
Record UNII
1X8F5A3NA0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMIPALISIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
OMIPALISIB [USAN]
Common Name English
omipalisib [INN]
Common Name English
Omipalisib [WHO-DD]
Common Name English
BENZENESULFONAMIDE, 2,4-DIFLUORO-N-(2-METHOXY-5-(4-(4-PYRIDAZINYL)-6-QUINOLINYL)-3-PYRIDINYL)-
Systematic Name English
2,4-Difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzenesulfonamide
Systematic Name English
GSK-2126458
Code English
GSK2126458
Code English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
NCI_THESAURUS C2152
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1236962
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
PUBCHEM
25167777
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
INN
9901
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID10148604
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
FDA UNII
1X8F5A3NA0
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
NCI_THESAURUS
C88270
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
CAS
1086062-66-9
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
USAN
ZZ-04
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
DRUG BANK
DB12703
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
SMS_ID
300000034347
Created by admin on Sat Dec 16 10:31:47 UTC 2023 , Edited by admin on Sat Dec 16 10:31:47 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY