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

Details

Stereochemistry RACEMIC
Molecular Formula C33H44FN5O3
Molecular Weight 577.7326
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BELIZATINIB

SMILES

CC(C)NC(=O)[C@@H]1CC[C@@H](CC1)N2C(NC(=O)C3=CC=C(F)C=C3)=NC4=C2C=C(CN5CCC(CC5)C(C)(C)O)C=C4

InChI

InChIKey=WSTUJEXAPHIEIM-FEGDYQJNSA-N
InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+

HIDE SMILES / InChI

Molecular Formula C33H44FN5O3
Molecular Weight 577.7326
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:31 UTC 2023
Edited
by admin
on Sat Dec 16 10:18:31 UTC 2023
Record UNII
Z8A6022P3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BELIZATINIB
INN   WHO-DD  
INN  
Official Name English
Belizatinib [WHO-DD]
Common Name English
belizatinib [INN]
Common Name English
BENZAMIDE, 4-FLUORO-N-(6-((4-(1-HYDROXY-1-METHYLETHYL)-1-PIPERIDINYL)METHYL)-1-(CIS-4-(((1-METHYLETHYL)AMINO)CARBONYL)CYCLOHEXYL)-1H-BENZIMIDAZOL-2-YL)-
Systematic Name English
BENZAMIDE, N-(1,3-DIHYDRO-6-((4-(1-HYDROXY-1-METHYLETHYL)-1-PIPERIDINYL)METHYL)-1-(CIS-4-(((1-METHYLETHYL)AMINO)CARBONYL)CYCLOHEXYL)-2H-BENZIMIDAZOL-2-YLIDENE)-4-FLUORO-, (N(E))-
Systematic Name English
Code System Code Type Description
PUBCHEM
57345941
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
NCI_THESAURUS
C169804
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
CAS
1388225-72-6
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
ALTERNATIVE
FDA UNII
Z8A6022P3J
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
INN
10155
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
SMS_ID
100000174180
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
CAS
1357920-84-3
Created by admin on Sat Dec 16 10:18:31 UTC 2023 , Edited by admin on Sat Dec 16 10:18:31 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
INHIBITOR
IC50
TARGET -> INHIBITOR
INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY