5(4H)-Thebenidinone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H9NO
Molecular Weight	219.2381
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5(4H)-Thebenidinone

Structure Search

SMILES

O=C1NC2=C3C(C=CC4=C3C1=CC=C4)=CC=C2

InChI

InChIKey=DZFROCAXLIJHAR-UHFFFAOYSA-N

InChI=1S/C15H9NO/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16-15)14(10)13(9)11/h1-8H,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C15H8NO
Molecular Weight	218.2301
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 11:49:30 GMT 2023` Edited by `admin` on `Sat Dec 16 11:49:30 GMT 2023`
Record UNII	KBY4T68N3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5(4H)-Thebenidinone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00215172

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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ECHA (EC/EINECS)

265-262-2

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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CAS

64884-40-8

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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FDA UNII

KBY4T68N3U

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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PUBCHEM

612994

Created by admin on Sat Dec 16 11:49:30 GMT 2023 , Edited by admin on Sat Dec 16 11:49:30 GMT 2023

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