Paliperidone Palmitate
Basic information
- CAS
199739-10-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O- InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N- Molecular formula
- C39H57FN4O4
- Average molar mass
- 664.9 g/mol
- Monoisotopic mass
- 664.43638447
Overview
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate is a fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one. It is a fatty acid ester, an organofluorine compound, a pyridopyrimidine, a heteroarylpiperidine and a member of 1,2-benzoxazoles.
Names & identifiers
- Preferred name
- Paliperidone Palmitate
- IUPAC
- [3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
- English name
- Paliperidone Palmitate
- Molecular formula
- C39H57FN4O4
- Molecular weight
- 664.89
Names & synonyms
Paliperidone Palmitate199739-10-1Invega SustennaxeplionInvega TrinzaRo 92670RO92670ERZOFRIR8P8USM8FRPALIPERIDONE JANSSENSustenna, InvegaRo-92670
Show more names
Paliperidone Palmitate [USAN]Paliperidone Palmitate-d31Palmitic acid paliperidone9-Hydroxyrisperidone palmitatePalmitone Palmitate Impurity 4Palmitone Palmitate Impurity 6Palmitone Palmitate Impurity 3
JNS010INVEGA HAFYERAJNS-010Palmitate, PaliperidoneErzofri extended-releaseHexadecanoic acid, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl esterHexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl esterR-092670
Database identifiers
- CAS
199739-10-1
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 110 · 110-115°C
- Boiling point
- 736.3 · 736.3±70.0 °C(Predicted)
- Density
- 1.19 · 1.19
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly, Heated, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 8.07 · 8.07±0.10(Predicted)
- color
- Off-White to Light Beige
- InChIKey
- VOMKSBFLAZZBOW-UHFFFAOYSA-N
- SMILES
- C(OC1C2N(CCC1)C(=O)C(CCN1CCC(C3C4=C(ON=3)C=C(F)C=C4)CC1)=C(C)N=2)(=O)CCCCCCCCCCCCCCC
- FDA UNII
- 8 P8USM8FR · R8P8USM8FR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P263, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
PALIPERIDONE PALMITATE
Atypical Antipsychotic [EPC]
MeSH Pharmacological Classification
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
Compounds and drugs that bind to and inhibit or block the activation of DOPAMINE D2 RECEPTORS.
Applications
DescriptionPaliperidone palmitate is an atypical long acting antipsychotics，which can fast onset in acute phase and continuously improve the symptoms in maintenance phase． It has the solid efficacy and convenient ad[1]ministration，which offer a new option for schizophrenia treatment and will help patients to adhere the treatment and prevent relapse． As the sole long acting antipsychotics with monthly injection，it was approved by CFDA in 2011 and indicated for the acute and maintenance treatment of schizophrenia．
UsesPaliperidone Palmitate is a long-acting injectable atypical antipsychotic used in the treatment of schizophrenia.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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