ISOMETHADONE HYDROBROMIDE

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Details

Stereochemistry	RACEMIC
Molecular Formula	C21H27NO.BrH
Molecular Weight	390.357
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOMETHADONE HYDROBROMIDE

Structure Search

SMILES

Br.CCC(=O)C(C(C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=FDTSMJLKASTENG-UHFFFAOYSA-N

InChI=1S/C21H27NO.BrH/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H27NO
Molecular Weight	309.4452
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 09:11:07 UTC 2023` Edited by `admin` on `Sat Dec 16 09:11:07 UTC 2023`
Record UNII	W8PU00YDDB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOMETHADONE HYDROBROMIDE

Common Name

English

ISOMETHADONE HYDROBROMIDE, DL-

Common Name

English

ISOMETHADONE DL-FORM HYDROBROMIDE [MI]

Common Name

English

3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROBROMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

W8PU00YDDB

Created by admin on Sat Dec 16 09:11:07 UTC 2023 , Edited by admin on Sat Dec 16 09:11:07 UTC 2023

PRIMARY

CAS

63765-85-5

Created by admin on Sat Dec 16 09:11:07 UTC 2023 , Edited by admin on Sat Dec 16 09:11:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID10980304

Created by admin on Sat Dec 16 09:11:07 UTC 2023 , Edited by admin on Sat Dec 16 09:11:07 UTC 2023

PRIMARY

PUBCHEM

44683

Created by admin on Sat Dec 16 09:11:07 UTC 2023 , Edited by admin on Sat Dec 16 09:11:07 UTC 2023

PRIMARY

MERCK INDEX

m6500

Created by admin on Sat Dec 16 09:11:07 UTC 2023 , Edited by admin on Sat Dec 16 09:11:07 UTC 2023

PRIMARY

Merck Index

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