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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H18FN5O2
Molecular Weight 415.4197
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TENALISIB

SMILES

CC[C@H](NC1=C2N=CNC2=NC=N1)C3=C(C(=O)C4=C(O3)C=CC=C4)C5=CC(F)=CC=C5

InChI

InChIKey=HDXDQPRPFRKGKZ-INIZCTEOSA-N
InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H18FN5O2
Molecular Weight 415.4197
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:36 UTC 2023
Record UNII
2261HH611H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TENALISIB
INN   WHO-DD  
INN  
Official Name English
3-(3-FLUOROPHENYL)-2-((1S)-1-((7H-PURIN-6-YL)AMINO)PROPYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
tenalisib [INN]
Common Name English
Tenalisib [WHO-DD]
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-(3-FLUOROPHENYL)-2-((1S)-1-(9H-PURIN-6-YLAMINO)PROPYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 616417
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
FDA ORPHAN DRUG 630618
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
Code System Code Type Description
FDA UNII
2261HH611H
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
NCI_THESAURUS
C113433
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
INN
10249
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
CAS
1639417-53-0
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
PUBCHEM
86291103
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545141
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
DRUG BANK
DB15295
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
SMS_ID
300000005401
Created by admin on Fri Dec 15 15:56:36 UTC 2023 , Edited by admin on Fri Dec 15 15:56:36 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY