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

Details

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

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

SMILES

OC[C@@H]1N[C@@H](CC2=C1NC3=C2C=CC=C3)C(O)=O

InChI

InChIKey=LDAVCJCEEGGHMQ-QWRGUYRKSA-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)/t10-,11-/m0/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:30:17 GMT 2025
Edited
by admin
on Wed Apr 02 20:30:17 GMT 2025
Record UNII
L74UZX8TWJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, (1R,3S)-rel-
Preferred Name English
1-(Hydroxymethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid, cis-
Systematic Name English
2,3,4,9-Tetrahydro-1-(hydroxymethyl)-1H-pyrido[3,4-b]indole-3-carboxylic acid, cis-
Systematic Name English
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, cis-
Systematic Name English
rel-(1R,3S)-2,3,4,9-Tetrahydro-1-(hydroxymethyl)-1H-pyrido[3,4-b]indole-3-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
98667-12-0
Created by admin on Wed Apr 02 20:30:17 GMT 2025 , Edited by admin on Wed Apr 02 20:30:17 GMT 2025
PRIMARY
FDA UNII
L74UZX8TWJ
Created by admin on Wed Apr 02 20:30:17 GMT 2025 , Edited by admin on Wed Apr 02 20:30:17 GMT 2025
PRIMARY
PUBCHEM
6997615
Created by admin on Wed Apr 02 20:30:17 GMT 2025 , Edited by admin on Wed Apr 02 20:30:17 GMT 2025
PRIMARY