6-HYDROXYBUSPIRONE HYDROCHLORIDE, (6R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H31N5O3.ClH
Molecular Weight	437.963
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-HYDROXYBUSPIRONE HYDROCHLORIDE, (6R)-

Structure Search

SMILES

Cl.O[C@H]1C(=O)N(CCCCN2CCN(CC2)C3=NC=CC=N3)C(=O)CC14CCCC4

InChI

InChIKey=QQVBLEXAVSAUDT-FERBBOLQSA-N

InChI=1S/C21H31N5O3.ClH/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9,18,28H,1-4,6-7,10-16H2;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H31N5O3
Molecular Weight	401.5025
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

Targets

Primary Target	Pharmacology	Condition	Potency
5-hydroxytryptamine receptor 1A 54 Target ID: P08908 Gene ID: 3350.0 Gene Symbol: HTR1A Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17494642 \| https://www.ncbi.nlm.nih.gov/pubmed/17668416	Partial Agonist 290

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:53:00 GMT 2023` Edited by `admin` on `Fri Dec 15 15:53:00 GMT 2023`
Record UNII	JH2C1X231I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-HYDROXYBUSPIRONE HYDROCHLORIDE, (6R)-

Common Name

English

8-AZASPIRO(4.5)DECANE-7,9-DIONE, 6-HYDROXY-8-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-, HYDROCHLORIDE (1:1), (6R)-

Systematic Name

English

BMS-442608 HYDROCHLORIDE

Code

English

Code System Code Type Description

CAS

2108486-86-6

Created by admin on Fri Dec 15 15:53:00 GMT 2023 , Edited by admin on Fri Dec 15 15:53:00 GMT 2023

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PUBCHEM

91826493

Created by admin on Fri Dec 15 15:53:00 GMT 2023 , Edited by admin on Fri Dec 15 15:53:00 GMT 2023

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FDA UNII

JH2C1X231I

Created by admin on Fri Dec 15 15:53:00 GMT 2023 , Edited by admin on Fri Dec 15 15:53:00 GMT 2023

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