EDICOTINIB HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H35N5O2.ClH
Molecular Weight	498.06
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1(C)CCC(=CC1)C2=NC(=CC=C2NC(=O)C3=NC=C(N3)C#N)C4CC(C)(C)OC(C)(C)C4

InChI

InChIKey=GDFIUUZLRLJTSJ-UHFFFAOYSA-N

InChI=1S/C27H35N5O2.ClH/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18;/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33);1H

HIDE SMILES / InChI

Molecular Formula	C27H35N5O2
Molecular Weight	461.5991
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 15:07:41 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:41 GMT 2023`
Record UNII	VV40HB3E58
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDICOTINIB HYDROCHLORIDE

Official Name

English

4-Cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide monohydrochloride

Systematic Name

English

1H-IMIDAZOLE-2-CARBOXAMIDE, 5-CYANO-N-(2-(4,4-DIMETHYL-1-CYCLOHEXEN-1-YL)-6-(TETRAHYDRO-2,2,6,6-TETRAMETHYL-2H-PYRAN-4-YL)-3-PYRIDINYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

EDICOTINIB HYDROCHLORIDE [USAN]

Common Name

English

JNJ-40346527 HCI

Code

English

Code System Code Type Description

CAS

1559069-92-9