3-METHYL-2-INDOLINONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H9NO
Molecular Weight	147.1739
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1C(=O)NC2=C1C=CC=C2

InChI

InChIKey=BBZCPUCZKLTAJQ-UHFFFAOYSA-N

InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H9NO
Molecular Weight	147.1739
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Title	Date	PubMed
Selective dehydrogenation/oxygenation of 3-methylindole by cytochrome p450 enzymes.	2001 Jul	11408359
Phase II in vitro metabolism of 3-methylindole metabolites in porcine liver.	2003 May	12746105
The role of CYP2A and CYP2E1 in the metabolism of 3-methylindole in primary cultured porcine hepatocytes.	2006 May	16501006
Metabolism and bioactivation of 3-methylindole by human liver microsomes.	2007 Jan	17226936
Palladium-catalyzed alpha-vinylation of carbonyl compounds.	2007 Oct 11	17887766
Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition.	2008 Aug 15	18642850
Porcine CYP2A19, CYP2E1 and CYP1A2 forms are responsible for skatole biotransformation in the reconstituted system.	2009	20027142
The pneumotoxin 3-methylindole is a substrate and a mechanism-based inactivator of CYP2A13, a human cytochrome P450 enzyme preferentially expressed in the respiratory tract.	2009 Oct	19608696

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:31 GMT 2023` Edited by `admin` on `Sat Dec 16 18:58:31 GMT 2023`
Record UNII	M6O509COF9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-METHYL-2-INDOLINONE

Systematic Name

English

3-METHYL-2-INDOLINONE, (±)-

Systematic Name

English

C02366

Code

English

3-METHYLOXINDOLE

Systematic Name

English

1,3-DIHYDRO-3-METHYL-2H-INDOL-2-ONE

Systematic Name

English

3-METHYL-1,3-DIHYDRO-2H-INDOL-2-ONE

Systematic Name

English

3-METHYL-1,3-DIHYDROINDOL-2-ONE

Systematic Name

English

2-INDOLINONE, 3-METHYL

Common Name

English

3-METHYL-2,3-DIHYDRO-1H-INDOL-2-ONE

Systematic Name

English

ATROXINDOLE

Common Name

English

3-METHYL-2-OXINDOLE

Common Name

English

2H-INDOL-2-ONE, 1,3-DIHYDRO-3-METHYL-

Systematic Name

English

3-METHYL-1H-INDOL-2(3H)-ONE

Systematic Name

English

J70.978F

Code

English

1H-INDOL-2-OL, 3-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

M6O509COF9