VECABRUTINIB SUCCINATE

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 Search

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

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase BTK 24 Target ID: CHEMBL5251 Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20110310&CC=WO&NR=2011029043A1&KC=A1	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:14:10 GMT 2023` Edited by `admin` on `Sat Dec 16 13:14:10 GMT 2023`
Record UNII	UCGZNSAOIG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VECABRUTINIB SUCCINATE

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