ABT-418 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H14N2O.ClH
Molecular Weight	202.681
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN1CCC[C@H]1C2=CC(C)=NO2

InChI

InChIKey=VOXHERKWAIEJQF-QRPNPIFTSA-N

InChI=1S/C9H14N2O.ClH/c1-7-6-9(12-10-7)8-4-3-5-11(8)2;/h6,8H,3-5H2,1-2H3;1H/t8-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C9H14N2O
Molecular Weight	166.2203
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
Neuronal acetylcholine receptor; alpha4/beta2 76 Target ID: CHEMBL1907596 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8987816\|https://www.ncbi.nlm.nih.gov/pubmed/9435889	Agonist 2678		6.0 µM [EC50]
Neuronal acetylcholine receptor 13 Target ID: CHEMBL2094110 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9022806\|https://www.ncbi.nlm.nih.gov/pubmed/7799396	Agonist 2678		4.2 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:27 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:27 GMT 2023`
Record UNII	1ALA933VO4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-418 HYDROCHLORIDE

Common Name

English

ISOXAZOLE, 3-METHYL-5-(1-METHYL-2-PYRROLIDINYL)-, MONOHYDROCHLORIDE, (S)-

Systematic Name

English

3-METHYL-5-(1-METHYL-2(S)-PYRROLIDINYL)ISOXAZOLE HYDROCHLORIDE(MONOHCL)

Common Name

English

ABT 418 HYDROCHLORIDE

Common Name

English

3-METHYL-5-(1-METHYL-2(S)-PYRROLIDINYL)ISOXAZOLE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60438901

Created by admin on Sat Dec 16 09:16:27 GMT 2023 , Edited by admin on Sat Dec 16 09:16:27 GMT 2023

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FDA UNII

1ALA933VO4

Created by admin on Sat Dec 16 09:16:27 GMT 2023 , Edited by admin on Sat Dec 16 09:16:27 GMT 2023

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PUBCHEM

10375597

Created by admin on Sat Dec 16 09:16:27 GMT 2023 , Edited by admin on Sat Dec 16 09:16:27 GMT 2023

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CAS

147388-83-8

Created by admin on Sat Dec 16 09:16:27 GMT 2023 , Edited by admin on Sat Dec 16 09:16:27 GMT 2023

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