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Blonanserin-d5

CAT: 0572-TRC-B595852-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B595852-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346599-86-7
Synonyms
2-(4-[Ethyl-d5)-1-piperazinyl]-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine; Lonasen-d5; AD 5423-d5;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
FC(C=C1)=CC=C1C2=CC(N3CCN(C([2H])([2H])C([2H])([2H])[2H])CC3)=NC4=C2CCCCCC4
Molecular Formula
C23H25D5FN3
Molecular Weight
372.53
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Blonanserin-d5
CAS Number1346599-86-7
PubChem CID71314128
IUPAC Name4-(4-fluorophenyl)-2-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Molecular FormulaC23H30FN3
Molecular Weight372.5
XLogP5.5
Topological Polar Surface Area19.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity443
SMILES
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3/i1D3,2D2
InChIKey
XVGOZDAJGBALKS-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Blonanserin-d5
CAS: 1346599-86-7
CID: 71314128
Formula: C23H30FN3
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass372.27375986
Monoisotopic Mass372.27375986
Topological Polar Surface Area19.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity443
Isotope Atom Count5
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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