U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 1-METHYL ETODOLAC

SMILES

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

InChI

InChIKey=FCSFORLYLNCXPD-UHFFFAOYSA-N
InChI=1S/C16H19NO3/c1-3-10-5-4-6-11-12-7-8-20-16(2,9-13(18)19)15(12)17-14(10)11/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 Sat Dec 16 11:19:03 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:03 GMT 2023
Record UNII
13A700KGO9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL ETODOLAC
Common Name English
DESMETHYL ETODOLAC
Common Name English
8-ETHYL-1,3,4,9-TETRAHYDRO-1-METHYLPYRANO(3,4-B)INDOLE-1-ACETIC ACID
Systematic Name English
PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 8-ETHYL-1,3,4,9-TETRAHYDRO-1-METHYL-
Systematic Name English
(±)-8-ETHYL-1-METHYL-1,3,4,9-TETRAHYDROPYRANO (3,4-B)-INDOLE-1-ACETIC ACID
Systematic Name English
DESETHYL METHYL ETODOLAC
Common Name English
ETODOLAC RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40732111
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
CAS
109518-47-0
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
PUBCHEM
59457769
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
RS_ITEM_NUM
1268728
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
FDA UNII
13A700KGO9
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
CAS
109518-46-9
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
SUPERSEDED