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GR 113808

CAT: 0926-UFA62551-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-UFA62551-03Size:100 mg
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CAS Number
144625-51-4
MDL Number
MFCD00912901
Smiles
CN1C=C (C2=CC=CC=C21) C (=O) OCC3CCN (CC3) CCNS (=O) (=O) C
Molecular Formula
C19H27N3O4S
Molecular Weight
393.5 g/mol
Controlled
Yes

Chemical Information

(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate

GR 113808 is an indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide. It has a role as a serotonergic antagonist. It is a member of piperidines, a sulfonamide and an indolyl carboxylate ester.

CAS Number144625-51-4
PubChem CID119376
IUPAC Name[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Molecular FormulaC19H27N3O4S
Molecular Weight393.5
XLogP1.7
Topological Polar Surface Area89
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity599
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
InChI
InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChIKey
MOZPSIXKYJUTKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CAS: 144625-51-4
CID: 119376
Formula: C19H27N3O4S
MW: 393.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight393.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass393.17222752
Monoisotopic Mass393.17222752
Topological Polar Surface Area89 Ų
Heavy Atom Count27
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6688-50GR 113808
HY-103152R-01GR 113808 (Standard)
217398GR113808 (5-HT4 Serotonin Receptor Antagonist, GR113808, GR 113808, GR-113808)

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