Elzasonan hydrochloride

CAT: 0013-GTR19240343-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19240343-01Size:10 mg

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Description

Elzasonan hydrochloride is a selective antagonist of the 5-HT1B and 5-HT1D receptors. This compound is a valuable research tool for investigating the role of these receptors in depression, supporting both in vitro binding assays and in vivo behavioral studies.

CAS Number

220322-05-4

Field of Research

Neuroscience, Pharmacology & Drug Discovery

Smiles

C (\C1=C (C=CC=C1) N2CCN (C) CC2) =C\3/C (=O) N (CCS3) C4=CC (Cl) =C (Cl) C=C4.Cl

Molecular Formula

C22H24Cl3N3OS

Molecular Weight

484.87

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Elzasonan hydrochloride

CAS Number	220322-05-4
PubChem CID	6506051
IUPAC Name	(2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one;hydrochloride
Molecular Formula	C22H24Cl3N3OS
Molecular Weight	484.9
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	611

SMILES

CN1CCN(CC1)C2=CC=CC=C2/C=C\3/C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.Cl

InChI

InChI=1S/C22H23Cl2N3OS.ClH/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;/h2-7,14-15H,8-13H2,1H3;1H/b21-14-;

InChIKey

NMTRXBJYASHMND-UXTSPRGOSA-N

Chemical Structure

2D Structure

CAS: 220322-05-4

CID: 6506051

Formula: C22H24Cl3N3OS

MW: 484.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	484.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	483.070567
Monoisotopic Mass	483.070567
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Elzasonan hydrochloride

Chemical Information

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