PTERULONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11ClO2
Molecular Weight	234.678
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PTERULONE

Structure Search

SMILES

CC(=O)C1=CC=C2OC\C(=C/Cl)C=CC2=C1

InChI

InChIKey=QEWSARCWWQPUSM-YFHOEESVSA-N

InChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-

HIDE SMILES / InChI

Molecular Formula	C13H11ClO2
Molecular Weight	234.678
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:34:15 GMT 2023` Edited by `admin` on `Sat Dec 16 17:34:15 GMT 2023`
Record UNII	A69767WW45
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PTERULONE

Common Name

English

1-((3Z)-3-(CHLOROMETHYLENE)-2,3-DIHYDRO-1-BENZOXEPIN-7-YL)ETHANONE

Systematic Name

English

(Z)-1-(3-(CHLOROMETHYLENE)-2,3-DIHYDRO-1-BENZOXEPIN-7-YL)ETHANONE

Systematic Name

English

ETHANONE, 1-((3Z)-3-(CHLOROMETHYLENE)-2,3-DIHYDRO-1-BENZOXEPIN-7-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

A69767WW45

Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023

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WIKIPEDIA

Pterulone

Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023

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PUBCHEM

69666503

Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023

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CAS

369376-61-4

Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023

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EPA CompTox

DTXSID00741087

Created by admin on Sat Dec 16 17:34:15 GMT 2023 , Edited by admin on Sat Dec 16 17:34:15 GMT 2023

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