Name: Cephaeline - ≥95% , CAS No.483-17-0
SKU: C331804
Availability: InStock

Cephaeline - ≥95% , CAS No.483-17-0

CAS: 483-17-0 Cat. No.: C331804 Summenformel: C₂₈H₃₈N₂O₄ Molekulargewicht: 466.61 Beilstein Registry Number: 100615 EG-Nummer: 207-591-6

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GRADE & PURITY ≥95%

Synonyms

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Produkteigenschaften Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥95% 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.

Specifications

Synonyme

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

pKa	pKa: 9.9 (Predicted), pKa: 9.26 (Predicted)

Namen und Kennungen

Pubchem Sid	504758780
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758780
Kanonisches Lächeln	CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
IUPAC Name	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
InChIKey	DTGZHCFJNDAHEN-OZEXIGSWSA-N
INCHI	1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
Isomere SMILES	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
RTECS	FJ9450000
Molekulargewicht	466.61
Beilstein	100615
Reaxy-Rn	100614
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=100614&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 Alkaloids and derivatives
  - Klasse Emetine alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Klasse	Emetine alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Emetine alkaloids
Alternative Parents	Tetrahydroisoquinolines Quinolizidines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Emetine alkaloid - Quinolizidine - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Amine - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as emetine alkaloids. These are alkaloids with a structure characterized by the presence of both an isoquinoline and a benzoquinolizidine nuclei.
External Descriptors	Isoquinoline alkaloids
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-Struktur

Zugehörige Ziele (menschlich)

ITGAL Tclin Leukocyte adhesion glycoprotein LFA-1 alpha (170 Activities)

Discover Target: ITGAL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BXPC-3 (2997 Activities)

Lot Number	Certificate Type	Datum	Artikel
K2217362	Certificate of Analysis	Aug 15, 2022	C331804
K2217366	Certificate of Analysis	Aug 15, 2022	C331804
K2217367	Certificate of Analysis	Aug 15, 2022	C331804
K2217369	Certificate of Analysis	Aug 15, 2022	C331804
K2217370	Certificate of Analysis	Aug 15, 2022	C331804
K2217373	Certificate of Analysis	Aug 15, 2022	C331804

Löslichkeit	Soluble in methanol, ethanol, acetone, and chloroform. Insoluble in water.
Empfindlichkeit	Light sensitive
Brechungsindex	n20D1.61 (Predicted)
Siedepunkt (°C)	~614.0° C at 760 mmHg (Predicted)
Schmelzpunkt (°C)	98-100° C
Molekulargewicht	466.600 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	466.283 Da
Monoisotopic Mass	466.283 Da
Topological Polar Surface Area	63.200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	664.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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