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Details

Stereochemistry RACEMIC
Molecular Formula C17H15NO4.ClH
Molecular Weight 333.766
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Isonicotinoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrochloride

SMILES

Cl.COC1=C(OC)C=C2C(=O)C(CC2=C1)C(=O)C3=CC=NC=C3

InChI

InChIKey=ICCGNBACRRUSOG-UHFFFAOYSA-N
InChI=1S/C17H15NO4.ClH/c1-21-14-8-11-7-13(16(19)10-3-5-18-6-4-10)17(20)12(11)9-15(14)22-2;/h3-6,8-9,13H,7H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H15NO4
Molecular Weight 297.3053
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 19:55:09 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:09 GMT 2023
Record UNII
F59KR27BPD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Isonicotinoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrochloride
Systematic Name English
2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylcarbonyl)-1H-inden-1-one hydrochloride
Systematic Name English
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-pyridinylcarbonyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
F59KR27BPD
Created by admin on Sat Dec 16 19:55:09 GMT 2023 , Edited by admin on Sat Dec 16 19:55:09 GMT 2023
PRIMARY
CAS
1315273-38-1
Created by admin on Sat Dec 16 19:55:09 GMT 2023 , Edited by admin on Sat Dec 16 19:55:09 GMT 2023
PRIMARY
Related Record Type Details
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