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Details

Stereochemistry ACHIRAL
Molecular Formula C26H21NO6
Molecular Weight 443.448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENISATIN

SMILES

CC(=O)OC1=CC=C(C=C1)C2(C(=O)N(C(C)=O)C3=CC=CC=C23)C4=CC=C(OC(C)=O)C=C4

InChI

InChIKey=JPGUEMQIAGJQSJ-UHFFFAOYSA-N
InChI=1S/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3

HIDE SMILES / InChI

Molecular Formula C26H21NO6
Molecular Weight 443.448
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Phenisatin, a precursor, which is acetylated to form a laxative stimulant oxyphenisatine.

Approval Year

Substance Class Chemical
Record UNII
ZHJ4JHL6HB
Record Status Validated (UNII)
Record Version