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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 of EDICOTINIB HYDROCHLORIDE

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 UTC 2023
Edited
by admin
on Sat Dec 16 15:07:41 UTC 2023
Record UNII
VV40HB3E58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDICOTINIB HYDROCHLORIDE
USAN  
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]
USAN  
Common Name English
JNJ-40346527 HCI
Code English
Code System Code Type Description
CAS
1559069-92-9
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
CAS
1142364-35-9
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
VV40HB3E58
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
PUBCHEM
25230467
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
USAN
FG-95
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
SMS_ID
300000011156
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
NCI_THESAURUS
C169927
Created by admin on Sat Dec 16 15:07:41 UTC 2023 , Edited by admin on Sat Dec 16 15:07:41 UTC 2023
PRIMARY
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ACTIVE MOIETY