Cephaeline - ≥95% , CAS No.483-17-0

CAS: 483-17-0 Cat. No.: C331804 Molecular Weight: 466.61 Beilstein Registry Number: 100615 EC Number: 207-591-6

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Cephaeline - ≥95% CAS No(483-17-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-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

≥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

Synonyms

Specifications & Purity

≥95%

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

≥95%

Product Properties

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

Names and Identifiers

Pubchem Sid	504758780
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758780
Canonical Smiles	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
Isomeric 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
Molecular Weight	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
  - Class Emetine alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	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
Description	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 Structure

Associated Targets(Human)

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	Date	Item
K2217362	Certificate of Analysis	Sep 16, 2025	C331804
K2217366	Certificate of Analysis	Sep 16, 2025	C331804
K2217367	Certificate of Analysis	Sep 16, 2025	C331804
K2217369	Certificate of Analysis	Sep 16, 2025	C331804
K2217370	Certificate of Analysis	Sep 16, 2025	C331804
K2217373	Certificate of Analysis	Sep 16, 2025	C331804

Solubility	Soluble in methanol, ethanol, acetone, and chloroform. Insoluble in water.
Sensitivity	Light sensitive
Refractive Index	n20D1.61 (Predicted)
Boil Point(°C)	~614.0° C at 760 mmHg (Predicted)
Melt Point(°C)	98-100° C
Molecular Weight	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