NAN-190 HYDROBROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H27N3O3.BrH
Molecular Weight	474.391
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.COC1=CC=CC=C1N2CCN(CCCCN3C(=O)C4=C(C=CC=C4)C3=O)CC2

InChI

InChIKey=AXRUEPFPTQYHQD-UHFFFAOYSA-N

InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;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	C23H27N3O3
Molecular Weight	393.4788
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	Potency
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL273 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2976673	Antagonist 2778	0.58 nM [Ki]
Adrenergic receptor alpha-1 169 Target ID: CHEMBL1907610 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2976673	Binding Agent 1064	0.8 nM [Ki]
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL3459 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2976673	Binding Agent 1064	62.0 nM [Ki]
Dopamine D2 receptor 297 Target ID: CHEMBL339 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2976673	Binding Agent 1064	60.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:40 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:40 GMT 2023`
Record UNII	919U0E9M3P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAN-190 HYDROBROMIDE

Code

English

2-(4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)BUTYL)-1H-ISOINDOLE-1,3(2H)-DIONE HYDROBROMIDE (1:1)

Systematic Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)BUTYL)-, HYDROBROMIDE (1:1)

Systematic Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)BUTYL)-, MONOHYDROBROMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

919U0E9M3P

Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023

PRIMARY

PUBCHEM

107966

Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023

PRIMARY

EPA CompTox

DTXSID5042588

Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023

PRIMARY

CAS

115338-32-4

Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023

PRIMARY

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