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Details

Stereochemistry RACEMIC
Molecular Formula C12H12N2O2
Molecular Weight 216.2359
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-3-CARBOXYLIC ACID

SMILES

OC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3

InChI

InChIKey=FSNCEEGOMTYXKY-UHFFFAOYSA-N
InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)

HIDE SMILES / InChI
Molecular Formula C12H12N2O2
Molecular Weight 216.2359
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 11:52:00 GMT 2025
Edited
by admin
on Wed Apr 02 11:52:00 GMT 2025
Record UNII
CK2W5X3J2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,4-TETRAHYDRO-BETA-CARBOLINE-3-CARBOXYLIC ACID
Systematic Name English
NSC-96912
Preferred Name English
N-ACETYLTRYPTOPHAN IMPURITY H [EP IMPURITY]
Common Name English
(3RS)-1,2,3,4-TETRAHYDRO-9H-.BETA.-CARBOLINE-3-CARBOXYLIC ACID
Systematic Name English
TRYPTOPHAN IMPURITY H [EP IMPURITY]
Common Name English
(±)-1,2,3,4-TETRAHYDRO-3-CARBOXY-2-CARBOLINE
Systematic Name English
DL-1,2,3,4-TETRAHYDRO-3-CARBOXY-2-CARBOLINE
Systematic Name English
Code System Code Type Description
FDA UNII
CK2W5X3J2K
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
CHEBI
91151
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID401032096
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
PUBCHEM
98285
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
CAS
6052-68-2
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
NSC
96912
Created by admin on Wed Apr 02 11:52:00 GMT 2025 , Edited by admin on Wed Apr 02 11:52:00 GMT 2025
PRIMARY
Related Record Type Details
Structure of N-ACETYL-DL-TRYPTOPHAN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TRYPTOPHAN
PARENT -> IMPURITY
EP
NIH
NCATS
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