Ramosetron hydrochloride - 10mM in DMSO , Serotonin 3 (5-HT3) receptor antagonist, CAS No.132907-72-3, Serotonin 3 (5-HT3) receptor antagonist

CAS: 132907-72-3 Cat. No.: R421252 Molecular Weight: 315.8 EC Number: 690-014-9 PubChem CID: 107999

GRADE & PURITY 10mM in DMSO

Synonyms

AMY15420 | (R)-(-)-Ramosetron Hydrochloride | Tox21_112441_1 | (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride. | (R)-5-((1-Methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazole hydrochloride | (1-methyl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

AMY15420 | (R)-(-)-Ramosetron Hydrochloride | Tox21_112441_1 | (1-methylindol-3-yl)-[(5R)-4, 5, 6, 7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride. | (R)-5-((1-Methyl-3-indolyl)carbonyl)-4, 5, 6, 7-tetrahydro-1H-benzimidazole hydrochloride | (1-methyl

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Ramosetron Hydrochloride(YM060 Hydrochloride) is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting. Target: 5-HT3 Receptor Ramosetron hydrochloride selectively blocks serotonin receptors (5-HT3). Serotonin plays a vital role i

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Serotonin 3 (5-HT3) receptor antagonist

Names and Identifiers

• Canonical Smiles: CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl
• IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride
• InChIKey: XIXYTCLDXQRHJO-RFVHGSKJSA-N
• INCHI: 1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4.Cl
• WGK Germany: 3
• PubChem CID: 107999
• Molecular Weight: 315.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Aryl alkyl ketones N-methylpyrroles Benzenoids Vinylogous amides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Aryl ketone - Aryl alkyl ketone - N-methylpyrrole - Substituted pyrrole - Benzenoid - Vinylogous amide - Imidazole - Azole - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Hydrochloride - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: [α]/D -40 to -45°, c = 1 in methanol
• Molecular Weight: 315.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 315.114 Da
• Monoisotopic Mass: 315.114 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 413.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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