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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClF4N7O2
Molecular Weight 529.918
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VECABRUTINIB

SMILES

NC(=O)[C@H]1CCN(C[C@@H]1N2CCC[C@@H](NC3=CC(=CC(Cl)=C3)C(F)(F)F)C2=O)C4=C(F)C(N)=NC=N4

InChI

InChIKey=QLRRJMOBVVGXEJ-XHSDSOJGSA-N
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24ClF4N7O2
Molecular Weight 529.918
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Mon Oct 21 22:36:57 UTC 2019
Edited
by admin
on Mon Oct 21 22:36:57 UTC 2019
Record UNII
PQ7O0OB5GU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VECABRUTINIB
USAN   INN  
Official Name English
FP0182
Code English
BIIB-062
Code English
(3R,3'R,4'S)-1'-(6-AMINO-5-FLUOROPYRIMIDIN-4-YL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXO-(1,3'-BIPIPERIDINE)-4'-CARBOXAMIDE
Systematic Name English
(1,3'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(6-AMINO-5-FLUORO-4-PYRIMIDINYL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXO-, (3R,3'R,4'S)-
Systematic Name English
BSK-4841
Code English
SNS-062
Code English
FP-0182
Code English
VECABRUTINIB [INN]
Common Name English
VECABRUTINIB [WHO-DD]
Common Name English
VECABRUTINIB [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C124801
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
NCI_THESAURUS C129825
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
Code System Code Type Description
CAS
1510829-06-7
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
PRIMARY
INN
10643
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
PRIMARY
NCI_THESAURUS
C136416
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
PRIMARY
PUBCHEM
72547837
Created by admin on Mon Oct 21 22:36:58 UTC 2019 , Edited by admin on Mon Oct 21 22:36:58 UTC 2019
PRIMARY
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