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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N2O2
Molecular Weight 322.4009
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)BENZENEACETIC ACID

SMILES

CC1=C(CCNCC2=CC=C(CC(O)=O)C=C2)C3=C(N1)C=CC=C3

InChI

InChIKey=JSJYZXRPZHHQQA-UHFFFAOYSA-N
InChI=1S/C20H22N2O2/c1-14-17(18-4-2-3-5-19(18)22-14)10-11-21-13-16-8-6-15(7-9-16)12-20(23)24/h2-9,21-22H,10-13H2,1H3,(H,23,24)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)BENZENEACETIC ACID
Systematic Name English
PANOBINOSTAT METABOLITE M40.8
Common Name English
BENZENEACETIC ACID, 4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
1449742-93-1
Created by admin on Sat Dec 16 16:59:00 GMT 2023 , Edited by admin on Sat Dec 16 16:59:00 GMT 2023
PRIMARY
FDA UNII
ZA5M2ZL2ZN
Created by admin on Sat Dec 16 16:59:00 GMT 2023 , Edited by admin on Sat Dec 16 16:59:00 GMT 2023
PRIMARY
PUBCHEM
156596539
Created by admin on Sat Dec 16 16:59:00 GMT 2023 , Edited by admin on Sat Dec 16 16:59:00 GMT 2023
PRIMARY