Allocryptopin - analytischer Standard , CAS No.485-91-6

CAS: 485-91-6 Cat. No.: A299479 Summenformel: C21H23NO5 Molekulargewicht: 369.41 EG-Nummer: 207-626-5
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
beta-Allocryptopine | EK27J8ROYB | HYBRYAPKQCZIAE-UHFFFAOYSA-N | NSC 404531 | SMR000283023 | 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one | 0XM0448C8J | HMS2735D09 | .beta.-Homochelidonine | .alpha.-Allocry
Storage
Lagerung bei -20°C
Shipped In
Eistruhe + Eispads
Size
Deutschland (EU)
USA*
Price
Qty
20mg
A299479-20mg
3 Auf Lager

242,88€

299,28€
Speichern 56,40 € (18.85%)
100mg
A299479-100mg
1 Auf Lager

957,90€

1.162,68€
Speichern 204,79 € (17.61%)
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Why this grade

analytischer Standard Analytischer Standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Lagerung bei -20°C Ships Eistruhe + Eispads 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.

Specifications

Synonyme
beta-Allocryptopine | EK27J8ROYB | HYBRYAPKQCZIAE-UHFFFAOYSA-N | NSC 404531 | SMR000283023 | 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one | 0XM0448C8J | HMS2735D09 | .beta.-Homochelidonine | .alpha.-Allocry
Spezifikationen & Reinheit
analytischer Standard
Storage
Lagerung bei -20°C
Verschickt in
Eistruhe + Eispads
Note
Analytischer Standard
Namen und Kennungen
Pubchem Sid528770159
Kanonisches LächelnCN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
IUPAC Name7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
InChIKeyHYBRYAPKQCZIAE-UHFFFAOYSA-N
INCHI1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
Isomere SMILES CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Molekulargewicht 369.41
Reaxy-Rn 97719
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=97719&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
KlasseProtopine alkaloids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentProtopine alkaloids
Alternative Parents Benzodioxoles  Aryl alkyl ketones  Anisoles  Aralkylamines  Alkyl aryl ethers  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Acetals  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Protopine skeleton - Benzodioxole - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aralkylamine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Acetal - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as protopine alkaloids. These are alkaloids with a structure based on a tricyclic protopine formed by oxidative ring fission of protoberberine N-metho salts.
External Descriptors a small molecule
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HGC-27 (1452 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGC-803 (6426 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Entamoeba histolytica (2676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDatumArtikel
K2322261Certificate of AnalysisNov 14, 2023 A299479
K2322262Certificate of AnalysisNov 14, 2023 A299479
K2322263Certificate of AnalysisNov 14, 2023 A299479
K2322264Certificate of AnalysisNov 14, 2023 A299479
Chemische und physikalische Eigenschaften
Molekulargewicht369.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass369.158 Da
Monoisotopic Mass369.158 Da
Topological Polar Surface Area57.200 Ų
Heavy Atom Count27
Formal Charge0
Complexity529.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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