ChemicalBook--->CAS DataBase List--->135729-55-4

135729-55-4

135729-55-4 Structure

135729-55-4 Structure
IdentificationBack Directory
[Name]

RS 42358-197
[CAS]

135729-55-4
[Synonyms]

RS 42358-197
Palonosetron USP RC E
Palonosetron Impurity 1 HCl
Palonosetron-3-ene Hydrochloride
Palonosetron USP Related Compound E
Palonosetron Hydrochloride Impurity 1
Palonosetron Related Compound E (Palonosetron-3-ene HCl)
(S)-2-(quinuclidin-3-yl)-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one
(S)-2-(quinuclidin-3-yl)-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one HCl
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4~{H}-benzo[de]isoquinolin-1-one
(S)-2-(quinuclidin-3-yl)-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one:hydrochloride
2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl] 2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
[Molecular Formula]

C19H23ClN2O
[MDL Number]

MFCD00903613
[MOL File]

135729-55-4.mol
[Molecular Weight]

330.86
Chemical PropertiesBack Directory
[Melting point ]

>160°C
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

Off-White to Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C19H22N2O.ClH/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;1H/t17-;/m1./s1
[InChIKey]

PEMWWRCTBNOHCX-UNTBIKODSA-N
[SMILES]

[Cl-].N21C[C@H](C(CC2)CC1)N3C=C4CCCc5c4c(ccc5)C3=O.[H+]
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2933790002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Palonosetron-3-ene Hydrochloride is an impurity of Palonosetron (P165800), a serotonin 5-HT3 receptor antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). Antiemetic.
[Application]

Palonosetron-3-ene Hydrochloride is an impurity of Palonosetron, a serotonin 5-HT3 receptor antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). Antiemetic.
Spectrum DetailBack Directory
[Spectrum Detail]

RS 42358-197(135729-55-4)1HNMR
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