Frovatriptan Succinate - 10mM in DMSO , CAS No.158930-09-7

CAS: 158930-09-7 Cat. No.: F421900 Molecular Weight: 361.39

GRADE & PURITY 10mM in DMSO

Synonyms

SB 209509ax | 1H-Carbazole-6-carboxamide, 2,3,4,9-tetrahydro-3-(methylamino)-,(3R)-, Butanedioate(1:1) | AKOS015899244 | butanedioic acid;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide | 36K05YF32G | AMY4157 | F87145 | 1H-Carbazole-6-c

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Frovatriptan Succinate Frovatriptan Succinate is the succinate salt form of frovatriptan, a synthetic triptan with serotonin (5-HT) receptor agonist activity especially for the 5-HT1B/1D receptors.

Specifications

Synonyms

SB 209509ax | 1H-Carbazole-6-carboxamide, 2, 3, 4, 9-tetrahydro-3-(methylamino)-, (3R)-, Butanedioate(1:1) | AKOS015899244 | butanedioic acid;(6R)-6-(methylamino)-6, 7, 8, 9-tetrahydro-5H-carbazole-3-carboxamide | 36K05YF32G | AMY4157 | F87145 | 1H-Carbazole-6-c

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Frovatriptan Succinate is the succinate salt form of frovatriptan, a synthetic triptan with serotonin (5-HT) receptor agonist activity especially for the 5-HT1B/1D receptors.

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.

Product Properties

• ALogP: -1.65
• hba_count: 3
• HBD Count: 3
• Rotatable Bond: 5

Names and Identifiers

• Canonical Smiles: CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• InChIKey: WHTHWNUUXINXHN-SBSPUUFOSA-N
• INCHI: 1S/C14H17N3O.C4H6O4/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8)/t9-;/m1./s1
• Isomeric SMILES: CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O
• Molecular Weight: 361.39
• Reaxy-Rn: 25708388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25708388&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indolecarboxamides and derivatives 3-alkylindoles Aralkylamines Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Heteroaromatic compounds Pyrroles Primary carboxylic acid amides Amino acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Not available
• Substituents: Carbazole - Indolecarboxamide derivative - Indolecarboxylic acid derivative - 3-alkylindole - Indole - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 72
• DMSO(mM) Max Solubility: 199.230747945433
• Water(mg / mL) Max Solubility: 72
• Water(mM) Max Solubility: 199.230747945433
• Molecular Weight: 361.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 361.164 Da
• Monoisotopic Mass: 361.164 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 426.000
• 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

XLogP3