PHENISATIN

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NCATS

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

Structure Search

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://doi.org/10.1002/cber.188501802170|

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:53:14 GMT 2023` Edited by `admin` on `Fri Dec 15 16:53:14 GMT 2023`
Record UNII	ZHJ4JHL6HB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PHENISATIN

Common Name

English

TRIACETYLDIPHENOLISATIN

Common Name

English

TRISATIN

Common Name

English

2H-INDOL-2-ONE, 1-ACETYL-3,3-BIS(4-(ACETYLOXY)PHENYL)-1,3-DIHYDRO-

Systematic Name

English

Phenisatin [WHO-DD]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID2066434

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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ECHA (EC/EINECS)

242-638-4

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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PUBCHEM

29321

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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ChEMBL

CHEMBL1909288

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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SMS_ID

100000079429

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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EVMPD

SUB14831MIG

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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CAS

18869-73-3

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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FDA UNII

ZHJ4JHL6HB

Created by admin on Fri Dec 15 16:53:14 GMT 2023 , Edited by admin on Fri Dec 15 16:53:14 GMT 2023

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