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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H30N8O4
Molecular Weight 506.5569
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROBLITINIB

SMILES

COCCNC1=CC(NC(=O)N2CCCC3=CC(CN4CCN(C)CC4=O)=C(C=O)N=C23)=NC=C1C#N

InChI

InChIKey=BHKDKKZMPODMIQ-UHFFFAOYSA-N
InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)

HIDE SMILES / InChI

Molecular Formula C25H30N8O4
Molecular Weight 506.5569
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 Dec 16 10:01:55 UTC 2023
Edited
by admin
on Sat Dec 16 10:01:55 UTC 2023
Record UNII
M64JF6WMSA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROBLITINIB
INN  
Official Name English
roblitinib [INN]
Common Name English
Roblitinib [WHO-DD]
Common Name English
FGF-401
Code English
FGF401
Code English
Code System Code Type Description
CAS
1708971-55-4
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
PUBCHEM
118036971
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545293
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
FDA UNII
M64JF6WMSA
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
INN
10760
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
SMS_ID
100000181188
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
NCI_THESAURUS
C120102
Created by admin on Sat Dec 16 10:01:55 UTC 2023 , Edited by admin on Sat Dec 16 10:01:55 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY