U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25N5O3
Molecular Weight 455.5084
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLEBRUTINIB

SMILES

NC1=NC=CC2=C1N(C(=O)N2[C@@H]3CCCN(C3)C(=O)C=C)C4=CC=C(OC5=CC=CC=C5)C=C4

InChI

InChIKey=KOEUOFPEZFUWRF-LJQANCHMSA-N
InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H25N5O3
Molecular Weight 455.5084
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:45:47 GMT 2023
Edited
by admin
on Sat Dec 16 14:45:47 GMT 2023
Record UNII
8CZ82ZYY9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLEBRUTINIB
USAN   INN  
Official Name English
SAR-442168
Code English
PRN-2246
Code English
2H-IMIDAZO(4,5-C)PYRIDIN-2-ONE, 4-AMINO-1,3-DIHYDRO-1-((3R)-1-(1-OXO-2-PROPEN-1-YL)-3-PIPERIDINYL)-3-(4-PHENOXYPHENYL)-
Systematic Name English
4-AMINO-1,3-DIHYDRO-1-((3R)-1-(1-OXO-2-PROPEN-1-YL)-3-PIPERIDINYL)-3-(4-PHENOXYPHENYL)-2H-IMIDAZO(4,5-C)PYRIDIN-2-ONE
Systematic Name English
TOLEBRUTINIB [USAN]
Common Name English
tolebrutinib [INN]
Common Name English
Tolebrutinib [WHO-DD]
Common Name English
SAR442168
Code English
PRN2246
Code English
Code System Code Type Description
CAS
1971920-73-6
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
USAN
JK-109
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
INN
11268
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
PUBCHEM
124111565
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
NCI_THESAURUS
C173549
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
SMS_ID
300000023647
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
FDA UNII
8CZ82ZYY9X
Created by admin on Sat Dec 16 14:45:47 GMT 2023 , Edited by admin on Sat Dec 16 14:45:47 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY