Allosecurinin - ≥98% , CAS No.884-68-4

Name: Allosecurinin - ≥98% , CAS No.884-68-4
Brand: Aladdin Scientific
SKU: A412625
Availability: InStock

CAS: 884-68-4 Cat. No.: A412625 Molecular Weight: 217.26

COA

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Allosecurinin - ≥98% CAS No(884-68-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

ISOCONAZOLE NITRATE [WHO-DD] | NCI60_000177 | NSC 326131 | 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one | AKOS015960902 | F82120 | Benzofurano[7a,7,6-a,b]indolisin-2(1H)-one, 5a,7,8,9,10,10a,10b,11-octahydro- | Virosecurinine | NCI60

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Information

Allosecurinin Allosecurinine (Phyllochrysine) is a Securinega alkaloid isolated from M.indica and M.discoidea with antifungal activity.

Specifications

Synonyms

ISOCONAZOLE NITRATE [WHO-DD] | NCI60_000177 | NSC 326131 | 14-oxa-7-azatetracyclo[6.6.1.01, 11.02, 7]pentadeca-9, 11-dien-13-one | AKOS015960902 | F82120 | Benzofurano[7a, 7, 6-a, b]indolisin-2(1H)-one, 5a, 7, 8, 9, 10, 10a, 10b, 11-octahydro- | Virosecurinine | NCI60

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Allosecurinine (Phyllochrysine) is a Securinega alkaloid isolated from M.indica and M.discoidea with antifungal activity.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

ALogP	1.449
hba_count	2

Names and Identifiers

Pubchem Sid	504758226
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758226
Canonical Smiles	C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
IUPAC Name	14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
InChIKey	SWZMSZQQJRKFBP-UHFFFAOYSA-N
INCHI	1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2
Isomeric SMILES	C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Molecular Weight	217.26
Reaxy-Rn	1078773
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1078773&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indolizidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indolizidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indolizidines
Alternative Parents	Azepines Piperidines N-alkylpyrrolidines Butenolides Enoate esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Indolizidine - Azepine - 2-furanone - Piperidine - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
F2222290	Certificate of Analysis	Apr 03, 2025	A412625
F2222291	Certificate of Analysis	Apr 03, 2025	A412625
F2222292	Certificate of Analysis	Apr 03, 2025	A412625
F2222297	Certificate of Analysis	Apr 03, 2025	A412625

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (460.27 mM);
Sensitivity	light sensitive
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	460.278007916782
Water(mg / mL) Max Solubility	-1
Molecular Weight	217.260 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	217.11 Da
Monoisotopic Mass	217.11 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	426.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1