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Sertindole

CAT: 0127-BUP06194-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06194-04Size:50 mg
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CAS Number
106516-24-9
Synonyms
Lu 23-174
MDL Number
MFCD00867749
Purity
=98%
Smiles
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Storage Conditions
Store at 2-8°C

Chemical Information

Sertindole

Sertindole is a phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. It has a role as an alpha-adrenergic antagonist, a H1-receptor antagonist, a serotonergic antagonist and a second generation antipsychotic. It is an organochlorine compound, an organofluorine compound, a phenylindole, a heteroarylpiperidine and an imidazolidinone.

CAS Number106516-24-9
PubChem CID60149
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
Molecular FormulaC24H26ClFN4O
Molecular Weight440.9
XLogP4.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity623
SMILES
C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O
InChI
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
InChIKey
GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sertindole
CAS: 106516-24-9
CID: 60149
Formula: C24H26ClFN4O
MW: 440.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass440.1779173
Monoisotopic Mass440.1779173
Topological Polar Surface Area40.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity623
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

Alternative Products

CatalogName
FS65165Sertindole
HY-14543RSertindole (Standard)
TRC-S279502-10MGSertindole-d4

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