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Details

Stereochemistry RACEMIC
Molecular Formula C11H14N2.C4H4O4
Molecular Weight 290.3144
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-AMINOPROPYL)INDOLE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CC(N)CC1=CC2=C(C=CN2)C=C1

InChI

InChIKey=XKFGCLQBEJVGQK-BTJKTKAUSA-N
InChI=1S/C11H14N2.C4H4O4/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9;5-3(6)1-2-4(7)8/h2-5,7-8,13H,6,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C11H14N2
Molecular Weight 174.2423
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.6 µM [IC50]
Substance Class Chemical
Created
by admin
on Tue Oct 22 17:15:22 UTC 2019
Edited
by admin
on Tue Oct 22 17:15:22 UTC 2019
Record UNII
M7C77J017A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2-AMINOPROPYL)INDOLE MALEATE
Systematic Name English
1H-INDOLE-6-ETHANAMINE, .ALPHA.-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
INDOLE, 6-(2-AMINOPROPYL)-, MALEATE (1:1)
Systematic Name English
1H-INDOLE-6-ETHANAMINE, .ALPHA.-METHYL-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
22196-72-1
Created by admin on Tue Oct 22 17:15:22 UTC 2019 , Edited by admin on Tue Oct 22 17:15:22 UTC 2019
PRIMARY
PUBCHEM
23619741
Created by admin on Tue Oct 22 17:15:22 UTC 2019 , Edited by admin on Tue Oct 22 17:15:22 UTC 2019
PRIMARY
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