Neoline - ≥98% , CAS No.466-26-2

CAS: 466-26-2 Cat. No.: B664228 분자식: C₂₄H₃₉NO₆ 분자량: 437.57

GRADE & PURITY ≥98%

Synonyms

Bullatine B | 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-(1α,6α,14α,16β)-aconitane-1,8,14-triol

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Neoline (Bullatine B) is the active ingredient of the active ingredient (PA), which can be used to cure the disease. Neoline Flow Suppression Nav1.7 Electrical Flow Control (VGSC), improve diabetes mechanical pain sensitivity. Neoline has a list of compounds that can be used, research on its use, and the quality of its processing during processing in pain.

Specifications

동의어

Bullatine B | 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-(1α,6α,14α,16β)-aconitane-1,8,14-triol

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528771503
• 정식 스마일: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
• IUPAC Name: 11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
• InChIKey: XRARAKHBJHWUHW-UHFFFAOYSA-N
• INCHI: 1S/C24H39NO6/c1-5-25-10-22(11-29-2)7-6-15(26)24-13-8-12-14(30-3)9-23(28,16(13)18(12)27)17(21(24)25)19(31-4)20(22)24/h12-21,26-28H,5-11H2,1-4H3
• 이성체 SMILES: CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
• 분자량: 437.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aconitane-type diterpenoid alkaloids
• Alternative Parents: Quinolidines Alkaloids and derivatives Azepanes Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Polyols Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Dialkyl ether - Polyol - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organopnictogen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
• 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

화학 및 물리적 특성

• 용해성: Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.: Soluble；DMSO: 200 mg/mL (457.07 mM)
• 분자량: 437.600 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 437.278 Da
• Monoisotopic Mass: 437.278 Da
• Topological Polar Surface Area: 91.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 752.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 13
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1