Palonosetron metabolite M4

Base Information

• Chemical Name: Palonosetron metabolite M4
• CAS No.: 848074-08-8
• Molecular Formula: C19H24N2O2
• Molecular Weight: 312.4
• UNII: G5GT4PN0X7
• Mol file: 848074-08-8.mol

Synonyms:6S-Hydroxy-palonosetron;848074-08-8;Palonosetron metabolite M4;UNII-G5GT4PN0X7;G5GT4PN0X7;Palonosetron metabolite (6-S-hydroxy-palonosetron);(6S)-Hydroxy (S,S)-Palonosetron;(3aS,6S)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-hydroxy-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;1H-Benz(de)isoquinolin-1-one, 2-(3S)-1-azabicyclo(2.2.2)oct-3-yl-2,3,3a,4,5,6-hexahydro-6-hydroxy-, (3aS,6S)-;SCHEMBL9076458;TZDXMUXWGXFPLG-XYPHTWIQSA-N

Chemical Property of Palonosetron metabolite M4

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 312.183778013
• Heavy Atom Count: 23
• Complexity: 488

Purity/Quality:

> 95% ^*data from raw suppliers

(6S)-Hydroxy(S,S)-Palonosetron ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C2=C3C1CN(C(=O)C3=CC=C2)C4CN5CCC4CC5)O
• Isomeric SMILES: C1C[C@@H](C2=C3[C@H]1CN(C(=O)C3=CC=C2)[C@@H]4CN5CCC4CC5)O
• Uses: (6S)-Hydroxy (S,S)-Palonosetron is a metabolite of Palonosetron (P165800, HCl salt) which is a potent, single stereoisomeric 5-HT3 receptor antagonist developed to prevent chemotherapy-induced nausea and vomiting.

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