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

Details

Stereochemistry MIXED
Molecular Formula C13H14N2O3
Molecular Weight 246.2619
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [1-(Hydroxymethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid]

SMILES

OCC1NC(CC2=C1NC3=C2C=CC=C3)C(O)=O

InChI

InChIKey=LDAVCJCEEGGHMQ-UHFFFAOYSA-N
InChI=1S/C13H14N2O3/c16-6-11-12-8(5-10(14-11)13(17)18)7-3-1-2-4-9(7)15-12/h1-4,10-11,14-16H,5-6H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C13H14N2O3
Molecular Weight 246.2619
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:22:09 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:09 GMT 2025
Record UNII
4F36NZ54CZ
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition