Sonepiprazole mesylate

CAT: 0931-T28828-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T28828-01Size:25 mg

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CAS Number

170858-34-1

Target

Dopamine Receptor, Others

Related Pathways

GPCR/G Protein, Others, Neuroscience

Bioactivity

Sonepiprazole mesylate is a selective D4 antagonist

Smiles

S(C)(=O)(=O)O.C(CN1CCN(CC1)C2=CC=C(S(N)(=O)=O)C=C2)[C@H]3C=4C(CCO3)=CC=CC4

Molecular Formula

C22H31N3O6S2

Molecular Weight

497.63

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Sonepiprazole Mesylate

See also: Sonepiprazole (has active moiety).

CAS Number	170858-34-1
PubChem CID	133078
IUPAC Name	4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide;methanesulfonic acid
Molecular Formula	C22H31N3O6S2
Molecular Weight	497.6
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	685

SMILES

CS(=O)(=O)O.C1CO[C@H](C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O3S.CH4O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21;1-5(2,3)4/h1-8,21H,9-16H2,(H2,22,25,26);1H3,(H,2,3,4)/t21-;/m0./s1

InChIKey

GFNAQGUENCOUHQ-BOXHHOBZSA-N

Chemical Structure

2D Structure

CAS: 170858-34-1

CID: 133078

Formula: C22H31N3O6S2

MW: 497.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	497.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	497.16542806
Monoisotopic Mass	497.16542806
Topological Polar Surface Area	147 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	685
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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Alternative Products

Catalog	Name
VGA85834-01	Sonepiprazole mesylate
HY-123676	Sonepiprazole (mesylate)
4185/50	Sonepiprazole
GTR19209725-01	Sonepiprazole hydrochloride
HY-14328A	Sonepiprazole (hydrochloride)
TRC-C184150-10MG	(S)-Carnitine Mesylate, Mesylate Salt

Sonepiprazole mesylate

Chemical Information

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