METHADYL ACETATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C23H31NO2
Molecular Weight	353.4977
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHADYL ACETATE

Structure Search

SMILES

CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=XBMIVRRWGCYBTQ-UHFFFAOYSA-N

InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C23H31NO2
Molecular Weight	353.4977
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:02:20 UTC 2023` Edited by `admin` on `Fri Dec 15 17:02:20 UTC 2023`
Record UNII	L59OC40KWJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHADYL ACETATE

Official Name

English

6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester)

Common Name

English

IDS-NA-004

Code

English

acetylmethadol [INN]

Common Name

English

ACETYLMETHADOL

Official Name

English

O-ACETYL-6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANOL

Systematic Name

English

METHADYL ACETATE [USAN]

Common Name

English

ACSCN-9601

Code

English

NIH-2953

Code

English

METHADYL ACETATE [MI]

Common Name

English

BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER)

Common Name

English

3-ACETOXY-6-DIMETHYLAMINO-4,4-DIPHENYLHEPTANE

Systematic Name

English

Classification Tree Code System Code

DEA NO.

9601

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

NCI_THESAURUS

C67413

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

Code System Code Type Description

INN

654

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

DRUG BANK

DB01433

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

RXCUI

6814

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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RxNorm

DRUG CENTRAL

1729

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

ECHA (EC/EINECS)

208-103-4

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

NCI_THESAURUS

C91045

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

CAS

509-74-0

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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WIKIPEDIA

Acetylmethadol

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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MESH

D008692

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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MERCK INDEX

m7287

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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Merck Index

EPA CompTox

DTXSID2023274

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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ChEMBL

CHEMBL170179

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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EVMPD

SUB05232MIG

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

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FDA UNII

L59OC40KWJ

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

PUBCHEM

10517

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

SMS_ID

100000084601

Created by admin on Fri Dec 15 17:02:20 UTC 2023 , Edited by admin on Fri Dec 15 17:02:20 UTC 2023

PRIMARY

Related Record Type Details


					3ZD9WAO92T

METHADYL ACETATE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					F3F26TZ9HN

HYDROXYHEXAMIDE

METABOLITE -> PARENT

Comments:

Metabolite to parent drug to non-uraemic human plasma was determined after chronic administration of parent drug.

Interaction Type:

METABOLITE TO PARENT DRUG RATIO

Qualification:

PLASMA

Amount:


					F3F26TZ9HN

HYDROXYHEXAMIDE

METABOLITE -> PARENT

Comments:

Percent of dose excreted in urine as metabolite

Qualification:

URINE

Amount:

Related Record Type Details


					L59OC40KWJ

METHADYL ACETATE

ACTIVE MOIETY