144625-51-4
Product Name:
GR 113808
Formula:
C19H27N3O4S
Synonyms:
1-[2-[(Methylsulfonyl)-amino]ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate;5-HT₄ Serotonin Receptor Antagonist, GR113808, GR 113808, GR-113808;GR113808 - CAS 144625-51-4 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 393.5 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 393.17222752 g/mol |
| Monoisotopic Mass | 393.17222752 g/mol |
| Topological Polar Surface Area | 89 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 599 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 an indolyl carboxylate ester, a member of piperidines and a sulfonamide.