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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 6-(TERT-BUTYL)-ACEMETACIN

SMILES

COC1=CC2=C(C=C1C(C)(C)C)N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C2CC(=O)OCC(O)=O

InChI

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

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 14:20:10 UTC 2023
Edited
by admin
on Sat Dec 16 14:20:10 UTC 2023
Record UNII
2DHT4209JN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(TERT-BUTYL)-ACEMETACIN
Common Name English
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-6-(1,1-DIMETHYLETHYL)-5-METHOXY-2-METHYL-, CARBOXYMETHYL ESTER
Systematic Name English
(((1-(4-CHLOROBENZOYL)-6-(1,1-DIMETHYLETHYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL)OXY)ACETIC ACID
Systematic Name English
ACEMETACIN IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
76812-64-1
Created by admin on Sat Dec 16 14:20:10 UTC 2023 , Edited by admin on Sat Dec 16 14:20:10 UTC 2023
PRIMARY
FDA UNII
2DHT4209JN
Created by admin on Sat Dec 16 14:20:10 UTC 2023 , Edited by admin on Sat Dec 16 14:20:10 UTC 2023
PRIMARY
PUBCHEM
12658428
Created by admin on Sat Dec 16 14:20:10 UTC 2023 , Edited by admin on Sat Dec 16 14:20:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity D = 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP