Drotaverine Hydrochloride - ≥95% , CAS No.985-12-6

CAS: 985-12-6 Cat. No.: D330540 Fórmula: C₂₄H₃₂ClNO₄ Peso molecular: 433.97 Número CE: 619-357-4

GRADE & PURITY ≥95%

Synonyms

(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride | Drotin; Isodihydroperparine hydrochloride; NOSH-BRA; No-Spa | SMR002530129 | Tetraspasmin-Lefa | DROTAVERINE HYDROCHLORIDE [MI] | UNII-24ZVH4C669 | HY-108974

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Drotaverine Hydrochloride is an antispasmodic, and an analogue of Papaverine.

Specifications

Sinónimos

(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride | Drotin; Isodihydroperparine hydrochloride; NOSH-BRA; No-Spa | SMR002530129 | Tetraspasmin-Lefa | DROTAVERINE HYDROCHLORIDE [MI] | UNII-24ZVH4C669 | HY-108974

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Drotaverine (Drotaverin) is an isoquinoline-based PDE4-selective phosphodiesterase (PDE) inhibitor and an L-type voltage-dependent (voltage-operated) calcium channel (L-VDCC or L-VOCC) blocker that exhibits in vivo antispasmodic efficacy without anticholi

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528773829
• Sorrisos canónicos: CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
• IUPAC Name: (1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride
• InChIKey: JBFLYOLJRKJYNV-MASIZSFYSA-N
• INCHI: 1S/C24H31NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,13-16,25H,5-8,11-12H2,1-4H3;1H/b20-13-
• SMILES isoméricas: CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
• Peso molecular: 433.97
• Reaxy-Rn: 10403512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10403512&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Enamine - Ether - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO, Methanol and Water
• Sensibilidade: Air, moisture and heat sensitive
• Ponto de fusão (°C): 197-200° C
• Peso molecular: 434.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 433.202 Da
• Monoisotopic Mass: 433.202 Da
• Topological Polar Surface Area: 49.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 511.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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