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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N2O2
Molecular Weight 308.3743
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)BENZOIC ACID

SMILES

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

InChI

InChIKey=ZHDLMWIFUIKJTA-UHFFFAOYSA-N
InChI=1S/C19H20N2O2/c1-13-16(17-4-2-3-5-18(17)21-13)10-11-20-12-14-6-8-15(9-7-14)19(22)23/h2-9,20-21H,10-12H2,1H3,(H,22,23)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(((2-(2-METHYL-1H-INDOL-3-YL)ETHYL)AMINO)METHYL)-
Systematic Name English
PANOBINOSTAT METABOLITE M36.9
Common Name English
Code System Code Type Description
FDA UNII
L4A7HD6TFE
Created by admin on Sat Dec 16 17:46:42 GMT 2023 , Edited by admin on Sat Dec 16 17:46:42 GMT 2023
PRIMARY
PUBCHEM
145722216
Created by admin on Sat Dec 16 17:46:42 GMT 2023 , Edited by admin on Sat Dec 16 17:46:42 GMT 2023
PRIMARY
CAS
1466425-81-9
Created by admin on Sat Dec 16 17:46:42 GMT 2023 , Edited by admin on Sat Dec 16 17:46:42 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PANOBINOSTAT
NIH
NCATS
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