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5-HT2 antagonist 1

CAT: 0013-GTR19205040-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205040-01Size:1 mg
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Description
This compound is a potent and selective antagonist of the 5-HT2 receptor with minor α1-adrenergic blocking activity. It is a valuable pharmacological tool for studying serotonin signaling in cardiovascular, neurological, and psychiatric research, applicable in both in vitro and in vivo experimental models.
CAS Number
191592-09-3
Product Name Alternative
5 HT2 antagonist 1, 5HT Receptor, 5HTReceptor, 5HT2 antagonist 1, 5-HT2 antagonist 1, 5-HT-2 antagonist 1, 5-HT2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.25% (May vary between batches)
Solubility
DMSO:85 mg/mL (212.24 mM)
Smiles
CN1C2=C (C (=O) N (CCCN3CCN (CC3) C4=CC=C (F) C=C4) CCC2O) C=C1
Molecular Formula
C22H29FN4O2
Molecular Weight
400.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-HT2 antagonist 1
CAS Number191592-09-3
PubChem CID9952825
IUPAC Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one
Molecular FormulaC22H29FN4O2
Molecular Weight400.5
XLogP1.5
Topological Polar Surface Area52
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity549
SMILES
CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C22H29FN4O2/c1-24-11-7-19-21(24)20(28)8-12-27(22(19)29)10-2-9-25-13-15-26(16-14-25)18-5-3-17(23)4-6-18/h3-7,11,20,28H,2,8-10,12-16H2,1H3
InChIKey
KBZUFSZQLVRGPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-HT2 antagonist 1
CAS: 191592-09-3
CID: 9952825
Formula: C22H29FN4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass400.22745434
Monoisotopic Mass400.22745434
Topological Polar Surface Area52 Ų
Heavy Atom Count29
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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