3,4-METHYLENEDIOXYPHENYL-2-PROPANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O3
Molecular Weight	178.185
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-METHYLENEDIOXYPHENYL-2-PROPANONE

Structure Search

SMILES

CC(=O)Cc1ccc2c(c1)OCO2

InChI

InChIKey=XIYKRJLTYKUWAM-UHFFFAOYSA-N

InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H10O3
Molecular Weight	178.185
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 `Sat Jun 26 00:10:22 UTC 2021` Edited by `admin` on `Sat Jun 26 00:10:22 UTC 2021`
Record UNII	PNA80F81BT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-METHYLENEDIOXYPHENYL-2-PROPANONE

Systematic Name

English

METHYL PIPERONYL KETONE

Common Name

English

NSC-16688

Code

English

1-(1,3-BENZODIOXOL-5-YL)ACETONE

Systematic Name

English

DEA NO. 8502

Code

English

2-PROPANONE, 1-(1,3-BENZODIOXOL-5-YL)-

Systematic Name

English

3,4-METHYLENEDIOXYPHENYLPROPAN-2-ONE

Common Name

English

Code System Code Type Description

EPA CompTox

4676-39-5

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

ECHA (EC/EINECS)

225-128-6

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

PUBCHEM

78407

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

DEA NO.

8502

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

CAS

4676-39-5

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

FDA UNII

PNA80F81BT

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

WIKIPEDIA

3,4-Methylenedioxyphenylpropan-2-one

Created by admin on Sat Jun 26 00:10:22 UTC 2021 , Edited by admin on Sat Jun 26 00:10:22 UTC 2021

PRIMARY

Related Record Type Details


					ML1I4KK67B

METHYLENEDIOXYETHAMPHETAMINE

PARENT -> METABOLITE

Qualification:

URINE