2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H22N2O
Molecular Weight	294.3908
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE

Structure Search

SMILES

O=C1N(C=C2CCCC3=C2C1=CC=C3)[C@@H]4CN5CCC4CC5

InChI

InChIKey=DIDFYSQVOPVZQB-QGZVFWFLSA-N

InChI=1S/C19H22N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,11,13,17H,1,3,5,7-10,12H2/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H22N2O
Molecular Weight	294.3908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:30 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:30 GMT 2023`
Record UNII	29WVV1OJ05
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE

Systematic Name

English

1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,4,5,6-TETRAHYDRO-

Systematic Name

English

DEHYDRO PALONOSETRON

Common Name

English

2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE, (+)-

Systematic Name

English

Code System Code Type Description

CAS

135729-56-5

Created by admin on Sat Dec 16 10:31:30 GMT 2023 , Edited by admin on Sat Dec 16 10:31:30 GMT 2023

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FDA UNII

29WVV1OJ05

Created by admin on Sat Dec 16 10:31:30 GMT 2023 , Edited by admin on Sat Dec 16 10:31:30 GMT 2023

PRIMARY

EPA CompTox

DTXSID5048342

Created by admin on Sat Dec 16 10:31:30 GMT 2023 , Edited by admin on Sat Dec 16 10:31:30 GMT 2023

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PUBCHEM

148210

Created by admin on Sat Dec 16 10:31:30 GMT 2023 , Edited by admin on Sat Dec 16 10:31:30 GMT 2023

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