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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClF4N7O2.C4H6O4
Molecular Weight 648.006
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VECABRUTINIB SUCCINATE

SMILES

OC(=O)CCC(O)=O.NC(=O)[C@H]1CCN(C[C@@H]1N2CCC[C@@H](NC3=CC(=CC(Cl)=C3)C(F)(F)F)C2=O)C4=NC=NC(N)=C4F

InChI

InChIKey=XGMXOWYNGVEUHA-CLUYDPBTSA-N
InChI=1S/C22H24ClF4N7O2.C4H6O4/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;5-3(6)1-2-4(7)8/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31);1-2H2,(H,5,6)(H,7,8)/t14-,15+,16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H24ClF4N7O2
Molecular Weight 529.918
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:14:10 UTC 2023
Edited
by admin
on Sat Dec 16 13:14:10 UTC 2023
Record UNII
UCGZNSAOIG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VECABRUTINIB SUCCINATE
USAN  
Official Name 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'-CARBOXAMIDESUCCINIC ACID (1:1)
Systematic Name English
VECABRUTINIB SUCCINATE [USAN]
Common Name English
BSK-4841 SUCCINATE
Code English
SNS-062 SUCCINATE
Code English
BUTANEDIOIC ACID, COMPD. WITH (3R,3'R,4'S)-1'-(6-AMINO-5-FLUORO-4-PYRIMIDINYL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-OXO(1,3'-BIPIPERIDINE)-4'-CARBOXAMIDE (1:1)
Systematic Name English
Code System Code Type Description
SMS_ID
300000011148
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
FDA UNII
UCGZNSAOIG
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
CAS
1947403-49-7
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
USAN
FG-123
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
PUBCHEM
135391059
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
NCI_THESAURUS
C170391
Created by admin on Sat Dec 16 13:14:10 UTC 2023 , Edited by admin on Sat Dec 16 13:14:10 UTC 2023
PRIMARY
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ACTIVE MOIETY