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Cariprazine-d8

CAT: 0572-TRC-C183492-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183492-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1308278-69-4
Synonyms
Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl-2,2-d2]cyclohexyl]-N,N-di(methyl-d3); N'-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl-2,2-d2]cyclohexyl]-N,N-di(methyl-d3)-urea
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N(C(=O)N[C@@H]1CC[C@@H](CC([2H])([2H])N2CCN(CC2)c3cccc(Cl)c3Cl)CC1)C([2H])([2H])[2H]
Molecular Formula
C21 D8 H24 Cl2 N4 O
Molecular Weight
435.46
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-/i1D3,2D3,11D2
Additionnal Information
IUPAC name: 3-[4-[2,2-dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-[4-[2,2-Dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea
CAS Number1308278-69-4
PubChem CID76287252
IUPAC Name3-[4-[2,2-dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea
Molecular FormulaC21H32Cl2N4O
Molecular Weight435.5
XLogP4.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity491
SMILES
[2H]C([2H])([2H])N(C(=O)NC1CCC(CC1)CC([2H])([2H])N2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/i1D3,2D3,11D2
InChIKey
KPWSJANDNDDRMB-KEWKYEQZSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-[2,2-Dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea
CAS: 1308278-69-4
CID: 76287252
Formula: C21H32Cl2N4O
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass434.2455310
Monoisotopic Mass434.2455310
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity491
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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