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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H46N4O4.C4H4O4
Molecular Weight 666.8042
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Igermetostat maleate

SMILES

OC(=O)\C=C/C(O)=O.CCN(C1CCOCC1)C2=CC(O[C@H]3C[C@@H](C3)N4CCCCC4)=CC(C(=O)NCC5=C(C)C=C(C)NC5=O)=C2C

InChI

InChIKey=HFXLGJYNXABHNY-YOAAGGMHSA-N
InChI=1S/C32H46N4O4.C4H4O4/c1-5-36(24-9-13-39-14-10-24)30-19-27(40-26-16-25(17-26)35-11-7-6-8-12-35)18-28(23(30)4)31(37)33-20-29-21(2)15-22(3)34-32(29)38;5-3(6)1-2-4(7)8/h15,18-19,24-26H,5-14,16-17,20H2,1-4H3,(H,33,37)(H,34,38);1-2H,(H,5,6)(H,7,8)/b;2-1-/t25-,26-;

HIDE SMILES / InChI

Approval Year

Name Type Language
Igermetostat maleate
Common Name English
Benzamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methyl-5-[[trans-3-(1-piperidinyl)cyclobutyl]oxy]-, (2Z)-2-butenedioate (1:1)
Preferred Name English
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl) methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl) amino)-2-methyl-5-(trans-3-(piperidin-1-yl) cyclobutoxy) benzamide maleate
Systematic Name English
Code System Code Type Description
CAS
2766231-05-2
Created by admin on Wed Apr 02 20:21:15 GMT 2025 , Edited by admin on Wed Apr 02 20:21:15 GMT 2025
PRIMARY
FDA UNII
6E2X79W9QU
Created by admin on Wed Apr 02 20:21:15 GMT 2025 , Edited by admin on Wed Apr 02 20:21:15 GMT 2025
PRIMARY