LUBAZODONE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18FNO2.ClH
Molecular Weight	287.758
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.FC1=CC=C(OC[C@@H]2CNCCO2)C3=C1CCC3

InChI

InChIKey=HWEMEKZYQCJVEZ-PPHPATTJSA-N

InChI=1S/C14H18FNO2.ClH/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10;/h4-5,10,16H,1-3,6-9H2;1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C14H18FNO2
Molecular Weight	251.2966
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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110 | https://adisinsight.springer.com/drugs/800008166

Lubazodone (YM 992) or (S)-2-[[(7-fluoro-4-indanyl)oxy]methyl]morpholine monohydrochloride, exhibited the biochemical profile of a selective serotonin (5-HT) reuptake inhibitor (SSRI) with 5-HT2A receptor antagonistic activity. It has been studied in the treatment of depression.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 2A 69 Target ID: P14842 Gene ID: 29595.0 Gene Symbol: Htr2a Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110	Antagonist 2778		86.0 nM [Ki]
Sodium-dependent serotonin transporter 40 Target ID: P31652 Gene ID: 25553.0 Gene Symbol: Slc6a4 Target Organism: Rattus norvegicus (Rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9025110	Inhibitor 8297		21.0 nM [Ki]

PubMed

Title	Date	PubMed
Investigation of the high partition of YM992, a novel antidepressant, in rat brain - in vitro and in vivo evidence for the high binding in brain and the high permeability at the BBB.	2002 Dec	12469328

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:51 GMT 2023` Edited by `admin` on `Fri Dec 15 15:45:51 GMT 2023`
Record UNII	2KT2C544LR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUBAZODONE HYDROCHLORIDE

Official Name

English

LUBAZODONE HCL

Common Name

English

YM992

Code

English

YM-992

Code

English

LUBAZODONE HYDROCHLORIDE [USAN]

Common Name

English

(S)-2-[[(7-Fluoro-4-indanyl)oxy]methyl]morpholine hydrochloride

Systematic Name

English

YM-35992

Code

English

SM-50C

Code

English

MORPHOLINE, 2-(((7-FLUORO-2,3-DIHYDRO-1H-INDEN-4-YL)OXY)METHYL)-, HYDROCHLORIDE (2S)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265