ISATIDE

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C16H12N2O4
Molecular Weight	296.2775
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISATIDE

Structure Search

SMILES

OC1(C(=O)NC2=C1C=CC=C2)C3(O)C(=O)NC4=C3C=CC=C4

InChI

InChIKey=FGKCCLBCLJFYDJ-UHFFFAOYSA-N

InChI=1S/C16H12N2O4/c19-13-15(21,9-5-1-3-7-11(9)17-13)16(22)10-6-2-4-8-12(10)18-14(16)20/h1-8,21-22H,(H,17,19)(H,18,20)

HIDE SMILES / InChI

Molecular Formula	C16H12N2O4
Molecular Weight	296.2775
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:51:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:48 GMT 2025`
Record UNII	6719J78BFB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISATIDE [MI]

Preferred Name

English

ISATIDE

Common Name

English

3,3'-BI-2H-INDOLE)-2,2'-DIONE, 1,1',3,3'-TETRAHYDRO-3,3'-DIHYDROXY-

Systematic Name

English

1,1,3,3-TETRAHYDRO-3,3-DIHYDROXY-(3,3-BI-2H-INDOLE)-2,2-DIONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID601168380

Created by admin on Mon Mar 31 22:51:48 GMT 2025 , Edited by admin on Mon Mar 31 22:51:48 GMT 2025

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FDA UNII

6719J78BFB

Created by admin on Mon Mar 31 22:51:48 GMT 2025 , Edited by admin on Mon Mar 31 22:51:48 GMT 2025

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PUBCHEM

3878569

Created by admin on Mon Mar 31 22:51:48 GMT 2025 , Edited by admin on Mon Mar 31 22:51:48 GMT 2025

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MERCK INDEX

m777

Created by admin on Mon Mar 31 22:51:48 GMT 2025 , Edited by admin on Mon Mar 31 22:51:48 GMT 2025

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Merck Index

CAS

464-73-3

Created by admin on Mon Mar 31 22:51:48 GMT 2025 , Edited by admin on Mon Mar 31 22:51:48 GMT 2025

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