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Sulamserod hydrochloride

CAT: 0013-GTR19240350-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240350-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulamserod hydrochloride is a selective 5-HT4 receptor antagonist used in research for gastrointestinal motility disorders. It is applied in both in vitro binding assays and in vivo studies to investigate colonic function and visceral sensitivity.
CAS Number
184159-40-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.O=C (C1=CC (Cl) =C (N) C=2OCCOC21) CCC3CCN (CCNS (=O) (=O) C) CC3
Molecular Formula
C19H29Cl2N3O5S
Molecular Weight
482.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sulamserod hydrochloride
CAS Number184159-40-8
PubChem CID9805251
IUPAC NameN-[2-[4-[3-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
Molecular FormulaC19H29Cl2N3O5S
Molecular Weight482.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity651
SMILES
CS(=O)(=O)NCCN1CCC(CC1)CCC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl.Cl
InChI
InChI=1S/C19H28ClN3O5S.ClH/c1-29(25,26)22-6-9-23-7-4-13(5-8-23)2-3-16(24)14-12-15(20)17(21)19-18(14)27-10-11-28-19;/h12-13,22H,2-11,21H2,1H3;1H
InChIKey
JJOQGHGEIKOGPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulamserod hydrochloride
CAS: 184159-40-8
CID: 9805251
Formula: C19H29Cl2N3O5S
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass481.1204976
Monoisotopic Mass481.1204976
Topological Polar Surface Area119 Ų
Heavy Atom Count30
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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