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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO
Molecular Weight 243.344
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Decarboxy etodolac

SMILES

CCC1=CC=CC2=C1NC3=C2CCOC3(C)CC

InChI

InChIKey=IYMCQNNWNNRAQH-UHFFFAOYSA-N
InChI=1S/C16H21NO/c1-4-11-7-6-8-12-13-9-10-18-16(3,5-2)15(13)17-14(11)12/h6-8,17H,4-5,9-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H21NO
Molecular Weight 243.344
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:23:52 UTC 2023
Edited
by admin
on Thu Jul 06 13:23:52 UTC 2023
Record UNII
4J2J13T0DI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Decarboxy etodolac
Common Name English
(1RS)-1,8-diethyl-1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
Systematic Name English
PYRANO(3,4-B)INDOLE, 1,8-DIETHYL-1,3,4,9-TETRAHYDRO-1-METHYL-
Systematic Name English
1,8-DIETHYL-1,3,4,9-TETRAHYDROPYRANO(3,4-B)INDOLE
Systematic Name English
RAK-802
Common Name English
ETODOLAC IMPURITY J [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
154191
Created by admin on Thu Jul 06 13:23:52 UTC 2023 , Edited by admin on Thu Jul 06 13:23:52 UTC 2023
PRIMARY
CAS
115066-03-0
Created by admin on Thu Jul 06 13:23:52 UTC 2023 , Edited by admin on Thu Jul 06 13:23:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID50921610
Created by admin on Thu Jul 06 13:23:52 UTC 2023 , Edited by admin on Thu Jul 06 13:23:52 UTC 2023
PRIMARY
FDA UNII
4J2J13T0DI
Created by admin on Thu Jul 06 13:23:52 UTC 2023 , Edited by admin on Thu Jul 06 13:23:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY