1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL-

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL-

Structure Search

SMILES

CN1C2=C(C3=C1C=CC=C3)C(=O)NCC2

InChI

InChIKey=GLHMAFAXJJECMG-UHFFFAOYSA-N

InChI=1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)

HIDE SMILES / InChI

Molecular Formula	C12H12N2O
Molecular Weight	200.2365
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 `Wed Apr 02 12:03:23 GMT 2025` Edited by `admin` on `Wed Apr 02 12:03:23 GMT 2025`
Record UNII	LNH9DX7PRV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALOSETRON RELATED COMPOUND A [USP IMPURITY]

Preferred Name

English

1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL-

Systematic Name

English

5-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO(4,3-B)INDOL-1-ONE

Systematic Name

English

2,3,4,5-TETRAHYDRO-5-METHYL-1H-PYRIDO(4,3-B)INDOL-1-ONE

Systematic Name

English

ALOSETRON RELATED COMPOUND A [USP-RS]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70472831

Created by admin on Wed Apr 02 12:03:23 GMT 2025 , Edited by admin on Wed Apr 02 12:03:23 GMT 2025

PRIMARY

RS_ITEM_NUM

1013818

Created by admin on Wed Apr 02 12:03:23 GMT 2025 , Edited by admin on Wed Apr 02 12:03:23 GMT 2025

PRIMARY

PUBCHEM

11790213

Created by admin on Wed Apr 02 12:03:23 GMT 2025 , Edited by admin on Wed Apr 02 12:03:23 GMT 2025

PRIMARY

CAS

122852-75-9

Created by admin on Wed Apr 02 12:03:23 GMT 2025 , Edited by admin on Wed Apr 02 12:03:23 GMT 2025

PRIMARY

FDA UNII

LNH9DX7PRV

Created by admin on Wed Apr 02 12:03:23 GMT 2025 , Edited by admin on Wed Apr 02 12:03:23 GMT 2025

PRIMARY

Related Record Type Details


					2F5R1A46YW

ALOSETRON HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: