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Pimavanserin tartrate

CAT: 0957-S8183-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S8183-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
706782-28-7
Synonyms
ACP-103
Target
5-HT Receptor
Applications
Neuronal Signaling
Smiles
CC (C) COC1=CC=C (C=C1) CNC (=O) N (CC2=CC=C (C=C2) F) C3CCN (CC3) C.CC (C) COC1=CC=C (C=C1) CNC (=O) N (CC2=CC=C (C=C2) F) C3CCN (CC3) C.C (C (C (=O) O) O) (C (=O) O) O
Molecular Formula
C50H68F2N6O4.C4H6O6
Additionnal Information
Pimavanserin tartrate (ACP-103) is a potent and selective serotonin 5-HT2A inverse agonist with pIC50 of 8.73, used to treat psychosis associated with Parkinson’s disease.
Storage Conditions
2 years -80 in solvent

Chemical Information

Pimavanserin Tartrate

Pimavanserin tartrate is a tartrate salt that is the hemitartrate salt of pimavanserin. An atypical antipsychotic that is used for treatment of hallucinations and delusions associated with Parkinson's disease. It has a role as a 5-hydroxytryptamine 2A receptor inverse agonist, an antipsychotic agent and a serotonergic antagonist. It contains a pimavanserin(1+).

CAS Number706782-28-7
PubChem CID11672491
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;bis(1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea)
Molecular FormulaC54H74F2N6O10
Molecular Weight1005.2
Topological Polar Surface Area205
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Heavy Atom Count72
Formal Charge0
Complexity657
SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChIKey
RGSULKHNAKTFIZ-CEAXSRTFSA-N
Chemical Structure
2D Structure
2D structure of Pimavanserin Tartrate
CAS: 706782-28-7
CID: 11672491
Formula: C54H74F2N6O10
MW: 1005.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1005.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count19
Exact Mass1004.54344890
Monoisotopic Mass1004.54344890
Topological Polar Surface Area205 Ų
Heavy Atom Count72
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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