BENALFOCIN HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14ClN.ClH
Molecular Weight	232.15
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN1CCC2=C(CC1)C(Cl)=CC=C2

InChI

InChIKey=JKQKVNMNAIFCFS-UHFFFAOYSA-N

InChI=1S/C11H14ClN.ClH/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13;/h2-4H,5-8H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	C11H14ClN
Molecular Weight	195.689
Charge	0
Count

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

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
Adrenergic receptor alpha-2 113 Target ID: CHEMBL2093864 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2867209\|https://www.ncbi.nlm.nih.gov/pubmed/1981137	Antagonist 2778		82.0 nM [Ki]

PubMed

Title	Date	PubMed
Ventilatory effects of alpha2-adrenoceptor blockade in awake goats.	2001 May	11311308
Non-adrenergic exploratory behavior induced by moxonidine at mildly hypotensive doses.	2003 Feb 21	12573508
Clonidine-evoked respiratory effects in anaesthetized rats.	2006 Jan	16282369
Medial prefrontal cortical alpha1 adrenoreceptor modulation of the nucleus accumbens dopamine response to stress in Long-Evans rats.	2007 Apr	17294052
Cathine, an amphetamine-related compound, acts on mammalian spermatozoa via beta1- and alpha2A-adrenergic receptors in a capacitation state-dependent manner.	2007 Mar	17158213
Imidazoline I(1) receptor-mediated reduction of muscle rigidity in the reserpine-treated murine model of Parkinson's disease.	2008 Jul 28	18602099
Yohimbine-induced alterations in alpha(2)-adrenoceptors in kidney regions of the spontaneously hypertensive rats: an autoradiographic analysis.	2008 May-Jun	18622064

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:19:20 GMT 2023` Edited by `admin` on `Fri Dec 15 15:19:20 GMT 2023`
Record UNII	YLW8APL9S8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENALFOCIN HYDROCHLORIDE

Common Name

English

1H-3-BENZAZEPINE, 6-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

6-CHLORO-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE HYDROCHLORIDE

Systematic Name

English

6-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-1H-3-BENZAZEPINE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

YLW8APL9S8

Created by admin on Fri Dec 15 15:19:20 GMT 2023 , Edited by admin on Fri Dec 15 15:19:20 GMT 2023

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PUBCHEM

10220250

Created by admin on Fri Dec 15 15:19:20 GMT 2023 , Edited by admin on Fri Dec 15 15:19:20 GMT 2023

PRIMARY

EPA CompTox

DTXSID70436918

Created by admin on Fri Dec 15 15:19:20 GMT 2023 , Edited by admin on Fri Dec 15 15:19:20 GMT 2023

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CAS

86129-54-6

Created by admin on Fri Dec 15 15:19:20 GMT 2023 , Edited by admin on Fri Dec 15 15:19:20 GMT 2023

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BENALFOCIN

PARENT -> SALT/SOLVATE