Ajmaline - ≥98% , CAS No.4360-12-7

CAS: 4360-12-7 Cat. No.: A303721 Fórmula: C₂₀H₂₆N₂O₂ Peso molecular: 326.43 Número CE: 224-439-4

GRADE & PURITY ≥98%

Synonyms

Ajmaline [JAN] | Cardiorythmine | AJMALINE [MART.] | Rytmalin | (17R,21-alpha)-Ajmalan-17,21-diol | (17R,21alpha)-Ajmalan-17,21-diol | P O Br3 | Rauwolfin | Ajmalan-17,21-diol, (17R,21alpha)-, compound with methanol (1:1) | AJMALINE [WHO-DD] | UNII-1PON08

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Ajmaline [JAN] | Cardiorythmine | AJMALINE [MART.] | Rytmalin | (17R,21-alpha)-Ajmalan-17,21-diol | (17R,21alpha)-Ajmalan-17,21-diol | P O Br3 | Rauwolfin | Ajmalan-17,21-diol, (17R,21alpha)-, compound with methanol (1:1) | AJMALINE [WHO-DD] | UNII-1PON08

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504764015
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764015
• Sorrisos canónicos: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
• IUPAC Name: (1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
• InChIKey: CJDRUOGAGYHKKD-RQBLFBSQSA-N
• INCHI: 1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1
• SMILES isoméricas: CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
• Peso molecular: 326.43
• Reaxy-Rn: 568202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=568202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Ajmaline-sarpagine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Ajmaline-sarpagine alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Ajmaline-sarpagine alkaloids
• Alternative Parents: Beta carbolines Quinolizidines Quinuclidines Dialkylarylamines Azepanes Aralkylamines Piperidines Benzenoids Secondary alcohols Hemiaminals Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sarpagine-skeleton - Beta-carboline - Pyridoindole - Quinolizidine - Indole or derivatives - Dialkylarylamine - Quinuclidine - Tertiary aliphatic/aromatic amine - Azepane - Aralkylamine - Benzenoid - Piperidine - Cyclic alcohol - Secondary alcohol - Tertiary amine - Hemiaminal - Organoheterocyclic compound - Azacycle - Alkanolamine - Alcohol - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ajmaline-sarpagine alkaloids. These are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether.
• 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

• Peso molecular: 326.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 326.199 Da
• Monoisotopic Mass: 326.199 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 1

Referências

1. Min Chen, Wenhuan Chen, Xinyi Jiang, Shaomei Liang, Yingqiao Qin, Jiayi Tang, Yifei Li, Qifan Wu, Xue Liang, Pengcheng Wei, Kunpeng Liu, Sulan Luo.  (2026)  Virtual screening targeting the conserved domain of the IAV M2 protein reveals the potential broad-spectrum anti-IAV activity of ajmaline.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:41881854] [10.1016/j.bbrc.2026.153643]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4360-12-7, the molecular formula is C20H26N2O2, and the molecular weight is 326.43 g/mol. InChIKey CJDRUOGAGYHKKD-RQBLFBSQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.