5(4H)-Thebenidinone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H8NO
Molecular Weight	218.2301
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=c1nc2cccc3ccc4cccc1c4c23

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 `Tue Apr 01 17:05:37 GMT 2025` Edited by `admin` on `Tue Apr 01 17:05:37 GMT 2025`
Record UNII	KBY4T68N3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5(4H)-Thebenidinone

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID00215172

Created by admin on Tue Apr 01 17:05:37 GMT 2025 , Edited by admin on Tue Apr 01 17:05:37 GMT 2025

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ECHA (EC/EINECS)

265-262-2

Created by admin on Tue Apr 01 17:05:37 GMT 2025 , Edited by admin on Tue Apr 01 17:05:37 GMT 2025

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CAS

64884-40-8

Created by admin on Tue Apr 01 17:05:37 GMT 2025 , Edited by admin on Tue Apr 01 17:05:37 GMT 2025

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FDA UNII

KBY4T68N3U

Created by admin on Tue Apr 01 17:05:37 GMT 2025 , Edited by admin on Tue Apr 01 17:05:37 GMT 2025

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PUBCHEM

612994

Created by admin on Tue Apr 01 17:05:37 GMT 2025 , Edited by admin on Tue Apr 01 17:05:37 GMT 2025

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