Frovatriptan Succinate - ≥97% , CAS No.158930-09-7

CAS: 158930-09-7 Cat. No.: F413348 Formule: C₁₈H₂₃N₃O₅ Poids moléculaire: 361.39

GRADE & PURITY ≥97%

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 -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Propriétés du produit

• ALogP: -1.65
• hba_count: 3
• Nombre de HBD: 3
• Liaison rotative: 5

Noms et identifiants

• Pubchem Sid: 504757376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757376
• Sourires canoniques: 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
• Isomères SMILES: CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O
• Poids moléculaire: 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
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 72 mg/mL (199.23 mM); Water: 72 mg/mL (199.23 mM); Ethanol: Insoluble
• DMSO (mg/mL) Solubilité maximale: 72
• DMSO (mM) Solubilité maximale: 199.230747945433
• Eau (mg/mL) Solubilité maximale: 72
• Eau (mM) Solubilité maximale: 199.230747945433
• Poids moléculaire: 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