BUTYLONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYLONE

Structure Search

SMILES

CCC(NC)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=CGKQZIULZRXRRJ-UHFFFAOYSA-N

InChI=1S/C12H15NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:16:52 UTC 2023` Edited by `admin` on `Sat Dec 16 10:16:52 UTC 2023`
Record UNII	X72T4EQ4FQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTYLONE

Common Name

English

BUTYROPHENONE, 2-(METHYLAMINO)-3',4'-(METHYLENEDIOXY)-

Systematic Name

English

BK-MBDB

Common Name

English

2-METHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)BUTAN-1-ONE

Systematic Name

English

.BETA.-KETO-N-METHYLBENZODIOXOLYLBUTANAMINE

Systematic Name

English

DEA NO. 7541

Code

English

1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)-, HYDROCHLORIDE (1:1)

Systematic Name

English

1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)BUTAN-1-ONE)

Common Name

English

J2.528.306F

Code

English

1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)-

Systematic Name

English

Classification Tree Code System Code

WIKIPEDIA

Designer-drugs-Butylone

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

DEA NO.

7541

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

Code System Code Type Description

CAS

802575-11-7

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

WIKIPEDIA

BUTYLONE

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

PUBCHEM

56843046

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

CAS

17762-90-2

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

GENERIC (FAMILY)

FDA UNII

X72T4EQ4FQ

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

SMS_ID

100000177570

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

EPA CompTox

DTXSID001024651

Created by admin on Sat Dec 16 10:16:52 UTC 2023 , Edited by admin on Sat Dec 16 10:16:52 UTC 2023

PRIMARY

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SODIUM-DEPENDENT SEROTONIN TRANSPORTER

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Comments:

INDUCES SEROTONIN RELEASE; NOT A DAT SUBSTRATE

Qualification:

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Amount:


					CJZ26L1EGI

SODIUM-DEPENDENT SEROTONIN TRANSPORTER

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					CJZ26L1EGI

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TARGET -> INHIBITOR

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Qualification:

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Related Record Type Details


					1C730RTS32

1-(3,4-DIHYDROXYPHENYL)-2-(METHYLAMINO)BUTAN-1-ONE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					P4HQL8G2S3

METABOLITE -> PARENT

Comments:

abuser A: ND (45, after hydrolysis) mcg/mL; abuser B: ND (2.0, after hydrolysis) mcg/mL

Interaction Type:

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Qualification:

URINE

Amount:


					R4Z4XJD7JH

2-METHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)BUTAN-1-OL

METABOLITE -> PARENT

Comments:

abuser A: 23[31]* (27[32]*, after hydrolysis) mcg/mL; abuser B: 19[2.0]* (17[2.0]*, after hydrolysis) mcg/mL; *diastereomer

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount:


					4LQE09H5G4

BK-BDB

METABOLITE -> PARENT

Comments:

abuser A: 3.5 mcg/mL (6.7 mcg/mL after hydrolysis); abuser B: not quantitated (before and after hydrolysis)

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount:


					P4QKA2Z68S

2-METHYLAMINO-1-(4-HYDROXY-3-METHOXY-PHENYL)BUTAN-1-ONE

METABOLITE -> PARENT

Comments:

abuser A: 3.3 (64, after hydrolysis) mcg/mL; abuser B: not quantitated (3.2, after hydrolysis) mcg/mL

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount:

Related Record Type Details


					X72T4EQ4FQ

BUTYLONE

ACTIVE MOIETY

Amount: