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Details

Stereochemistry ACHIRAL
Molecular Formula C27H27F2N5O3
Molecular Weight 507.5328
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REMIBRUTINIB

SMILES

C=CC(=O)N(C)CCOc1c(-c2cc(cc(c2C)N=C(c3ccc(cc3F)C4CC4)O)F)nc[nH]c1=N

InChI

InChIKey=CUABMPOJOBCXJI-UHFFFAOYSA-N
InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)

HIDE SMILES / InChI

Molecular Formula C27H27F2N5O3
Molecular Weight 507.5328
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:43:37 UTC 2021
Edited
by admin
on Sat Jun 26 14:43:37 UTC 2021
Record UNII
I7MVZ8HDNU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REMIBRUTINIB
INN  
Official Name English
REMIBRUTINIB [INN]
Common Name English
N-(3-(6-AMINO-5-(2-(N-METHYLACRYLAMIDO)ETHOXY)PYRIMIDIN-4-YL)-5-FLUORO-2-METHYLPHENYL)-4-CYCLOPROPYL-2-FLUOROBENZAMIDE
Systematic Name English
BENZAMIDE, N-(3-(6-AMINO-5-(2-(METHYL(1-OXO-2-PROPEN-1-YL)AMINO)ETHOXY)-4-PYRIMIDINYL)-5-FLUORO-2-METHYLPHENYL)-4-CYCLOPROPYL-2-FLUORO-
Systematic Name English
Code System Code Type Description
INN
11062
Created by admin on Sat Jun 26 14:43:38 UTC 2021 , Edited by admin on Sat Jun 26 14:43:38 UTC 2021
PRIMARY
FDA UNII
I7MVZ8HDNU
Created by admin on Sat Jun 26 14:43:38 UTC 2021 , Edited by admin on Sat Jun 26 14:43:38 UTC 2021
PRIMARY
NCI_THESAURUS
C175851
Created by admin on Sat Jun 26 14:43:38 UTC 2021 , Edited by admin on Sat Jun 26 14:43:38 UTC 2021
PRIMARY
CAS
1787294-07-8
Created by admin on Sat Jun 26 14:43:38 UTC 2021 , Edited by admin on Sat Jun 26 14:43:38 UTC 2021
PRIMARY
PUBCHEM
118107483
Created by admin on Sat Jun 26 14:43:38 UTC 2021 , Edited by admin on Sat Jun 26 14:43:38 UTC 2021
PRIMARY
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