Basic information
- CAS
135755-51-0- Standard SMILES
Cl.O=C1c2cccc3c2[C@@H](CCC3)CN1[C@@H]1CN2CCC1CC2- InChIKey
OLDRWYVIKMSFFB-KPVRICSOSA-N- Molecular formula
- C19H25ClN2O
- Average molar mass
- 332.9 g/mol
- Monoisotopic mass
- 332.1655411
Names & identifiers
- Preferred name
- Palonosetron hydrochloride, (3aR)-
- IUPAC
- (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
- English name
- (R,S)-Palonosetron Hydrochloride
- Molecular formula
- C19H24N2O.ClH
- Molecular weight
- 332.87
Names & synonyms
135755-51-0Palonosetron hydrochloride, (3aR)-X1Q7HOS25ZRS 25233-198RefChem:928539(R,S)-Palonosetron Hydrochloride(R)-2-((1R,3S,4R)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride(R,S)-Palonosetron Hydrochloride (90%)(R,S)-Palonosetron Hydrochloride (90per cent)(3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride(R,S)Palonosetron HClUNII-X1Q7HOS25Z
Show more names
(R,S)-PalonosetronPalonosetron USP RC DPalonosetron 3a-epimerIMPURITY C DIASTEROMERPalonosetron Impurity 22 HClPalonosetron Impurity D Control3aR-2S-Palonosetron hydrochloridePalonosetron (R,S)-Isomer (HCl Salt)
SCHEMBL182479(R,S)Palonosetron Impurity 7(R,S)Palonosetron hydrochloridePalonosetron Related Compound D(USP)(3AR)-2-((3S)-QUINUCLIDIN-3-YL)-2,3,3A,4,5,6-HEXAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE HYDROCHLORIDE(R)-2-((1R,3S,4R)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-onehydrochloride(R)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,3,3A,4,5,6-HEXAHYDRO-, HYDROCHLORIDE (1:1), (3AR)-
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 197 °C · >197°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Sparingly)
- form
- Solid
- color
- White to Brown
- Stability
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C19H24N2O.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;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/m0./s1
- InChIKey
- OLDRWYVIKMSFFB-KPVRICSOSA-N
- SMILES
- [Cl-].N21C[C@H](C(CC2)CC1)N3C[C@@H]4CCCc5c4c(ccc5)C3=O.[H+]
- FDA UNII
- 1 Q7HOS25Z · X1Q7HOS25Z
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933790002 · 2933790002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933790002
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS.
Applications
UsesThe (R,S)-enantiomer of Palonosetron (P165800), a potent and selective antagonist, with 5-HT3 receptor in vitro. An impurity of Palonosetron.
Suppliers73 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
成都蓝蜻蜓生物技术有限公司028-87856149; 15208320722 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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