Alnespirone hydrochloride

CAT: 0931-T70666-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70666-01Size:25 mg

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CAS Number

143413-68-7

Target

Others

Related Pathways

Others

Bioactivity

Alnespirone hydrochloride is a selective 5-HT1A receptor full agonist of the azapirone chemical class. It has both antidepressant and anxiolytic effects.

Smiles

Cl.CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

Molecular Formula

C26H39ClN2O4

Molecular Weight

479.06

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Alnespirone hydrochloride

CAS Number	143413-68-7
PubChem CID	9826391
IUPAC Name	8-[4-[[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
Molecular Formula	C26H39ClN2O4
Molecular Weight	479.0
Topological Polar Surface Area	59.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	628

SMILES

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]3CC4=C(C=CC=C4OC)OC3.Cl

InChI

InChI=1S/C26H38N2O4.ClH/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26;/h8-10,20H,3-7,11-19H2,1-2H3;1H/t20-;/m0./s1

InChIKey

QYFHCFNBYQZGKW-BDQAORGHSA-N

Chemical Structure

2D Structure

CAS: 143413-68-7

CID: 9826391

Formula: C26H39ClN2O4

MW: 479.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	479.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	478.2598354
Monoisotopic Mass	478.2598354
Topological Polar Surface Area	59.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alnespirone hydrochloride

Chemical Information

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