Raceanisodamine - 10mM in DMSO , CAS No.17659-49-3

CAS: 17659-49-3 Cat. No.: R422153 Peso molecular: 305.37 Número EC: 977-449-2

GRADE & PURITY 10mM in DMSO

Synonyms

SR-01000161872 | AKOS005388168 | (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate | 7beta-Hydroxyhyoscyamine | MFCD03764601 | NCGC00095248-02 | 7(c)micro-hydroxyhyoscyamine;Raceanisodamine; alpha-(Hydroxymethy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Raceanisodamine (7β-Hydroxyhyoscyamine) is the active ingredient of Chinese herbal extracts that has vasoactive activity used to treat acute disseminated intravascular coagulation in patients in bacteremic shock.

Specifications

Sinónimos

SR-01000161872 | AKOS005388168 | (1R, 3S, 5R, 6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate | 7beta-Hydroxyhyoscyamine | MFCD03764601 | NCGC00095248-02 | 7(c)micro-hydroxyhyoscyamine;Raceanisodamine; alpha-(Hydroxymethy

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Raceanisodamine (7β-Hydroxyhyoscyamine) is the active ingredient of Chinese herbal extracts that has vasoactive activity used to treat acute disseminated intravascular coagulation in patients in bacteremic shock.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
• IUPAC Name: (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
• InChIKey: WTQYWNWRJNXDEG-UHFFFAOYSA-N
• INCHI: 1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
• Isómeros SMILES: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3
• Peso molecular: 305.37
• Reaxy-Rn: 287259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=287259&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Cyclic alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

Propiedades químicas y físicas

• Peso molecular: 305.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 305.163 Da
• Monoisotopic Mass: 305.163 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Haochun Guo, Jiajia Chen, Hanxu Yu, Lei Dong, Ran Yu, Qingju Li, Jian Song, Haoyu Chen, Haijun Zhang, Juan Pu, Wanpeng Wang.  (2023)  Activation of Nrf2/ARE pathway by Anisodamine (654-2) for Inhibition of cellular aging and alleviation of Radiation-Induced lung injury.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:37678028] [10.1016/j.intimp.2023.110864]

2. Zheng Zhou, Mingxuan Liu, Haoyu You, Boyu Su, Yuxing Wu, Shilin Zhang, Tao Sun, Chen Jiang.  (2025)  Multiple-Stimuli-Responsive Biomimetic Polypyrrole Delivery System for Synergistic Regulation and Restoration of Epileptic Foci.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202510305]

3. Zang Yu, Hou Rui, Wei Bohua, Liu Yuting, Wang Jianjun, Liu Jiao, Xu Liang, Zhang Wei.  (2026)  Cascade-controlled porous composite membranes: pore-supporting synergy enabling high-flux enantioseparation of amino acids and pharmaceuticals.  Science China-Materials,      [PMID:] [10.1007/s40843-025-3936-8]