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

CAS: 158930-09-7 Cat. No.: F421900 Fórmula: C₁₈H₂₃N₃O₅ Peso molecular: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

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.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

-1.65

hba_count

3

Contagem HBD

3

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

528773309

Sorrisos canónicos

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

SMILES isoméricas

CN[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N.C(CC(=O)O)C(=O)O

Peso molecular

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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 72
• DMSO (mM) Solubilidade máxima: 199.230747945433
• Água (mg/mL) Solubilidade máxima: 72
• Água (mM) Solubilidade máxima: 199.230747945433
• Peso molecular: 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