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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21F3N6O2.ClH
Molecular Weight 446.854
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPARLISIB HYDROCHLORIDE

SMILES

Cl.NC1=NC=C(C2=CC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(=C1)C(F)(F)F

InChI

InChIKey=DGPLYAXBXJXEID-UHFFFAOYSA-N
InChI=1S/C18H21F3N6O2.ClH/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h9-11H,1-8H2,(H2,22,23);1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C18H21F3N6O2
Molecular Weight 410.3935
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:29 UTC 2023
Edited
by admin
on Fri Dec 15 19:42:29 UTC 2023
Record UNII
194LK4P5K1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUPARLISIB HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
Buparlisib hydrochloride [WHO-DD]
Common Name English
BUPARLISIB HYDROCHLORIDE [USAN]
Common Name English
BUPARLISIB HYDROCHLORIDE [JAN]
Common Name English
BKM-120AAA
Code English
2-PYRIDINAMINE, 5-(2,6-DI-4-MORPHOLINYL-4-PYRIMIDINYL)-4-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1404
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
Code System Code Type Description
CAS
1312445-63-8
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
FDA UNII
194LK4P5K1
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL2017974
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
DRUG BANK
DBSALT002043
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
USAN
AB-30
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
PUBCHEM
66577015
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID50156980
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
NCI_THESAURUS
C142973
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
CHEBI
71954
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
SMS_ID
100000175841
Created by admin on Fri Dec 15 19:42:29 UTC 2023 , Edited by admin on Fri Dec 15 19:42:29 UTC 2023
PRIMARY
Related Record Type Details
Structure of BUPARLISIB
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of BUPARLISIB
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