LEVOISOMETHADONE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO.ClH.H2O
Molecular Weight	363.921
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LEVOISOMETHADONE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CCC(=O)C([C@H](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=MWHPFVZLAXQQSU-ZEECNFPPSA-N

InChI=1S/C21H27NO.ClH.H2O/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;1H2/t17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
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	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1L1PTN
AbovChem LLC	HY-U00140
ChemTik	CTK1H0652
NCI Plated 2007	117867
Smolecule	S532953	http://www.smolecule.com/products/s532953
THE BioTek	bt-273422	https://www.thebiotek.com/product/inhibitors/bt-273422
Toronto Research Chemicals	I821270
Toronto Research Chemicals	I821273
ZINC	ZINC000001707692	http://zinc15.docking.org/substances/ZINC000001707692

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:13:17 GMT 2023` Edited by `admin` on `Sat Dec 16 09:13:17 GMT 2023`
Record UNII	6KU48I1V2C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEVOISOMETHADONE HYDROCHLORIDE MONOHYDRATE

Common Name

English

3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROCHLORIDE, MONOHYDRATE, (S)-

Systematic Name

English

ISOMETHADONE L-FORM HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

72710719

Created by admin on Sat Dec 16 09:13:17 GMT 2023 , Edited by admin on Sat Dec 16 09:13:17 GMT 2023

PRIMARY

CAS

60762-72-3

Created by admin on Sat Dec 16 09:13:17 GMT 2023 , Edited by admin on Sat Dec 16 09:13:17 GMT 2023

PRIMARY

MERCK INDEX

m6500

Created by admin on Sat Dec 16 09:13:17 GMT 2023 , Edited by admin on Sat Dec 16 09:13:17 GMT 2023

PRIMARY

Merck Index

FDA UNII

6KU48I1V2C

Created by admin on Sat Dec 16 09:13:17 GMT 2023 , Edited by admin on Sat Dec 16 09:13:17 GMT 2023

PRIMARY

Related Record Type Details


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LEVOISOMETHADONE HYDROCHLORIDE

ANHYDROUS->SOLVATE