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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N2O2
Molecular Weight 308.375
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

Cc1c(CCNCc2ccc(cc2)C(=O)O)c3ccccc3[nH]1

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

Molecular Formula C19H20N2O2
Molecular Weight 308.375
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 Fri Jun 25 22:51:14 UTC 2021
Edited
by admin
on Fri Jun 25 22:51:14 UTC 2021
Record UNII
L4A7HD6TFE
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 22:51:14 UTC 2021 , Edited by admin on Fri Jun 25 22:51:14 UTC 2021
PRIMARY
PUBCHEM
145722216
Created by admin on Fri Jun 25 22:51:14 UTC 2021 , Edited by admin on Fri Jun 25 22:51:14 UTC 2021
PRIMARY
CAS
1466425-81-9
Created by admin on Fri Jun 25 22:51:14 UTC 2021 , Edited by admin on Fri Jun 25 22:51:14 UTC 2021
PRIMARY
Related Record Type Details
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FECAL; PLASMA; URINE