JTC-801

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H25N3O2.ClH
Molecular Weight	447.957
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC3=CC=C4N=C(C)C=C(N)C4=C3)C=C1

InChI

InChIKey=NQLIYKXNAXKMBL-UHFFFAOYSA-N

InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H

HIDE SMILES / InChI

Molecular Formula	C26H25N3O2
Molecular Weight	411.4956
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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:42:12 UTC 2023` Edited by `admin` on `Sat Dec 16 08:42:12 UTC 2023`
Record UNII	7I21WLZ2FP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JTC-801

Common Name

English

BENZAMIDE, N-(4-AMINO-2-METHYL-6-QUINOLINYL)-2-((4-ETHYLPHENOXY)METHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

BENZAMIDE, N-(4-AMINO-2-METHYL-6-QUINOLINYL)-2-((4-ETHYLPHENOXY)METHYL)-, MONOHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10415525