BICYCLOPYRONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H20F3NO5
Molecular Weight	399.361
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BICYCLOPYRONE

Structure Search

SMILES

COCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=C(O)[C@@H]3CC[C@@H](C3)C2=O

InChI

InChIKey=HUYBEDCQLAEVPD-MNOVXSKESA-N

InChI=1S/C19H20F3NO5/c1-27-6-7-28-9-13-12(4-5-14(23-13)19(20,21)22)18(26)15-16(24)10-2-3-11(8-10)17(15)25/h4-5,10-11,24H,2-3,6-9H2,1H3/t10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H20F3NO5
Molecular Weight	399.361
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:59:21 GMT 2023` Edited by `admin` on `Sat Dec 16 09:59:21 GMT 2023`
Record UNII	ML25YR3ZCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BICYCLOPYRONE

Common Name

English

BICYCLO(3.2.1)OCT-3-EN-2-ONE, 4-HYDROXY-3-((2-((2-METHOXYETHOXY)METHYL)-6-(TRIFLUOROMETHYL)-3-PYRIDINYL)CARBONYL)-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

18986

Created by admin on Sat Dec 16 09:59:21 GMT 2023 , Edited by admin on Sat Dec 16 09:59:21 GMT 2023

Code System Code Type Description

CAS

352010-68-5

Created by admin on Sat Dec 16 09:59:21 GMT 2023 , Edited by admin on Sat Dec 16 09:59:21 GMT 2023

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FDA UNII

ML25YR3ZCH

Created by admin on Sat Dec 16 09:59:21 GMT 2023 , Edited by admin on Sat Dec 16 09:59:21 GMT 2023

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ALANWOOD

bicyclopyrone

Created by admin on Sat Dec 16 09:59:21 GMT 2023 , Edited by admin on Sat Dec 16 09:59:21 GMT 2023

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EPA CompTox

DTXSID5058064

Created by admin on Sat Dec 16 09:59:21 GMT 2023 , Edited by admin on Sat Dec 16 09:59:21 GMT 2023

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