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Fluspirilene

CAT: 0024-sc-252832Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-252832Size:10 mg
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CAS Number
1841-19-6

Chemical Information

Fluspirilene

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a diarylmethane.

CAS Number1841-19-6
PubChem CID3396
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular FormulaC29H31F2N3O
Molecular Weight475.6
XLogP5.6
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity653
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluspirilene
CAS: 1841-19-6
CID: 3396
Formula: C29H31F2N3O
MW: 475.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass475.24351894
Monoisotopic Mass475.24351894
Topological Polar Surface Area35.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity653
Isotope Atom Count0
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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CatalogName
T15301-01Fluspirilene
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RM-F123301-01Fluspirilene EP Impurity A
RM-F123302-01Fluspirilene EP Impurity B
RM-F123303-01Fluspirilene EP Impurity C

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