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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26ClNO6
Molecular Weight 471.93
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEMETACIN TERT-BUTYL ESTER

SMILES

COC1=CC2=C(C=C1)N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C2CC(=O)OCC(=O)OC(C)(C)C

InChI

InChIKey=FPYWWHOBBPHPFR-UHFFFAOYSA-N
InChI=1S/C25H26ClNO6/c1-15-19(13-22(28)32-14-23(29)33-25(2,3)4)20-12-18(31-5)10-11-21(20)27(15)24(30)16-6-8-17(26)9-7-16/h6-12H,13-14H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C25H26ClNO6
Molecular Weight 471.93
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 14:20:09 UTC 2023
Edited
by admin
on Sat Dec 16 14:20:09 UTC 2023
Record UNII
RNL06PB8AN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACEMETACIN TERT-BUTYL ESTER
Common Name English
ACEMETACIN 1,1-DIMETHYLETHYL ESTER
Common Name English
1,1-DIMETHYLETHYL (((1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY)ACETATE
Systematic Name English
ACEMETACIN IMPURITY E [EP IMPURITY]
Common Name English
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(1,1-DIMETHYLETHOXY)-2-OXOETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
RNL06PB8AN
Created by admin on Sat Dec 16 14:20:09 UTC 2023 , Edited by admin on Sat Dec 16 14:20:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID80539065
Created by admin on Sat Dec 16 14:20:09 UTC 2023 , Edited by admin on Sat Dec 16 14:20:09 UTC 2023
PRIMARY
PUBCHEM
13388202
Created by admin on Sat Dec 16 14:20:09 UTC 2023 , Edited by admin on Sat Dec 16 14:20:09 UTC 2023
PRIMARY
CAS
75302-98-6
Created by admin on Sat Dec 16 14:20:09 UTC 2023 , Edited by admin on Sat Dec 16 14:20:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP