PNU-22394

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16N2
Molecular Weight	200.2795
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PNU-22394

Structure Search

SMILES

CN1C2=C(CCNCC2)C3=C1C=CC=C3

InChI

InChIKey=ZBXDOQWPGBISAR-UHFFFAOYSA-N

InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H16N2
Molecular Weight	200.2795
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23301527	Partial Agonist 290		0.023 µM [EC50]
Serotonin 2c (5-HT2c) receptor 124 Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23301527	Agonist 2678		7.7 nM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:55:21 GMT 2023` Edited by `admin` on `Sat Dec 16 18:55:21 GMT 2023`
Record UNII	J7HPJ854EA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PNU-22394

Code

English

1,2,3,4,5,6-HEXAHYDRO-6-METHYLAZEPINO(4,5-B)INDOLE

Systematic Name

English

AZEPINO(4,5-B)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-6-METHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

27559

Created by admin on Sat Dec 16 18:55:22 GMT 2023 , Edited by admin on Sat Dec 16 18:55:22 GMT 2023

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EPA CompTox

DTXSID001028489

Created by admin on Sat Dec 16 18:55:22 GMT 2023 , Edited by admin on Sat Dec 16 18:55:22 GMT 2023

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WIKIPEDIA

PNU-22394

Created by admin on Sat Dec 16 18:55:22 GMT 2023 , Edited by admin on Sat Dec 16 18:55:22 GMT 2023

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FDA UNII

J7HPJ854EA

Created by admin on Sat Dec 16 18:55:22 GMT 2023 , Edited by admin on Sat Dec 16 18:55:22 GMT 2023

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CAS

15923-78-1

Created by admin on Sat Dec 16 18:55:22 GMT 2023 , Edited by admin on Sat Dec 16 18:55:22 GMT 2023

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PNU-22394 HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


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PNU-22394

ACTIVE MOIETY

Amount: