IBRUTINIB, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24N6O2
Molecular Weight	440.4971
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C2C(=NC=N1)N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]5CCCN(C5)C(=O)C=C

InChI

InChIKey=XYFPWWZEPKGCCK-SFHVURJKSA-N

InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

IBRUTINIB, (S)-

Common Name

English

1-((3S)-3-(4-AMINO-3-(4-PHENOXYPHENYL)PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)PIPERIDIN-1-YL)PROP-2-EN-1-ONE

Common Name

English

1-((3S)-3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-1-PIPERIDINYL)-2-PROPEN-1-ONE

Common Name

English

2-PROPEN-1-ONE, 1-((3S)-3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-1-YL)-1-PIPERIDINYL)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID901112629

Created by admin on Sat Dec 16 18:41:42 UTC 2023 , Edited by admin on Sat Dec 16 18:41:42 UTC 2023

PRIMARY

CAS

936563-97-2

Created by admin on Sat Dec 16 18:41:42 UTC 2023 , Edited by admin on Sat Dec 16 18:41:42 UTC 2023

PRIMARY

PUBCHEM

24821023

Created by admin on Sat Dec 16 18:41:42 UTC 2023 , Edited by admin on Sat Dec 16 18:41:42 UTC 2023

PRIMARY

FDA UNII

Y6K7EN3Q6V

Created by admin on Sat Dec 16 18:41:42 UTC 2023 , Edited by admin on Sat Dec 16 18:41:42 UTC 2023

PRIMARY

SUBSTANCE RECORD


					Y6K7EN3Q6V

IBRUTINIB, (S)-