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Details

Stereochemistry RACEMIC
Molecular Formula C16H19NO3
Molecular Weight 273.327
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHYL ETODOLAC

SMILES

CCC1(CC(O)=O)OCCC2=C1NC3=C2C=CC=C3C

InChI

InChIKey=MXFIBWNLCQBCCN-UHFFFAOYSA-N
InChI=1S/C16H19NO3/c1-3-16(9-13(18)19)15-12(7-8-20-16)11-6-4-5-10(2)14(11)17-15/h4-6,17H,3,7-9H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C16H19NO3
Molecular Weight 273.327
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 16:56:11 UTC 2023
Edited
by admin
on Thu Jul 06 16:56:11 UTC 2023
Record UNII
816MKG734F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-METHYL ETODOLAC
Common Name English
1-Ethyl-1,3,4,9-tetrahydro-8-methylpyrano[3,4-b]indole-1-acetic acid
Systematic Name English
[(1RS)-1-ethyl-8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
Systematic Name English
RAK-701
Code English
ETODOLAC IMPURITY B [EP IMPURITY]
Common Name English
PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1-ETHYL-1,3,4,9-TETRAHYDRO-8-METHYL-
Systematic Name English
Code System Code Type Description
CAS
41340-19-6
Created by admin on Thu Jul 06 16:56:12 UTC 2023 , Edited by admin on Thu Jul 06 16:56:12 UTC 2023
PRIMARY
PUBCHEM
12272838
Created by admin on Thu Jul 06 16:56:12 UTC 2023 , Edited by admin on Thu Jul 06 16:56:12 UTC 2023
PRIMARY
FDA UNII
816MKG734F
Created by admin on Thu Jul 06 16:56:12 UTC 2023 , Edited by admin on Thu Jul 06 16:56:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID50961632
Created by admin on Thu Jul 06 16:56:12 UTC 2023 , Edited by admin on Thu Jul 06 16:56:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY