U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vamotinib

SMILES

CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#CC4=NN=C5C=CC=CN45)C=C2)C(F)(F)F)CC1

InChI

InChIKey=SLIVDYMORZGPLW-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)

HIDE SMILES / InChI

Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
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 Tue Apr 01 20:56:15 GMT 2025
Edited
by admin
on Tue Apr 01 20:56:15 GMT 2025
Record UNII
I8C3R768IZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-114
Preferred Name English
Vamotinib
INN  
Official Name English
vamotinib [INN]
Common Name English
4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
Systematic Name English
BENZAMIDE, 4-METHYL-N-(4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-3-(2-(1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3-YL)ETHYNYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 585217
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
Code System Code Type Description
INN
12273
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
PUBCHEM
71475839
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
NCI_THESAURUS
C130033
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
FDA UNII
I8C3R768IZ
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
CAS
1416241-23-0
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
SMS_ID
100000177376
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
DRUG BANK
DB15396
Created by admin on Tue Apr 01 20:56:15 GMT 2025 , Edited by admin on Tue Apr 01 20:56:15 GMT 2025
PRIMARY
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