Rizatriptan-dbenzoate , CAS No.1216984-85-8

CAS: 1216984-85-8 Cat. No.: R1429038 PubChem CID: 46782892

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Rizatriptan-d 6 (benzoate) is the deuterium labeled Rizatriptan benzoate. Rizatriptan benzoate is a 5-HT1 agonist triptan agent for the treatment of migraine headaches.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3.C1=CC=C(C=C1)C(=O)O
• IUPAC Name: benzoic acid;2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
• InChIKey: JPRXYLQNJJVCMZ-TXHXQZCNSA-N
• INCHI: 1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)/i1D3,2D3
• Isomeric SMILES: [2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)C([2H])([2H])[2H].C1=CC=C(C=C1)C(=O)O
• Alternate CAS: 1216984-85-8
• PubChem CID: 46782892

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Benzoic acids Benzoyl derivatives Aralkylamines Substituted pyrroles Triazoles Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tryptamine - 3-alkylindole - Benzoic acid or derivatives - Benzoic acid - Indole - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - 1,2,4-triazole - Azole - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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