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N-Methylcytisine - 98%, high purity , CAS No.486-86-2

COA

Grade & Purity:

≥98%

Cas Number: 486-86-2
Molecular Weight: 204.27
EC Number: 207-643-8
MDL number: MFCD00211091
PubChem CID: 670971
PubChem SID: 504759818

In stock

Item Number

N305311

Grouped product items
SKU	Size	Availability	Price
N305311-5mg	5mg	3	$155.90
N305311-25mg	25mg	3	$702.90
N305311-100mg	100mg	3	$2,527.90

View related series

Ion channel (2197) Membrane Transporter/Ion Channel (1822) nAChR (140) Neuronal Signaling (3320)

Basic Description

Synonyms	AS-77797 \| (1R,5S)-3-Methyl-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one \| N-Methylcytisine, >=98% (HPLC) \| Caulophyllin \| EINECS 207-643-8 \| 1,5-Methano-8H-pyrido(1,2a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)- \|
Specifications & Purity	≥98%
Storage Temp	Protected from light
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives
  - Class Lupin alkaloids
    - Subclass Cytisine and derivatives

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Lupin alkaloids
Subclass	Cytisine and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Cytisine and derivatives
Alternative Parents	Pyridinones Aralkylamines Piperidines Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cytisine - Pyridinone - Aralkylamine - Piperidine - Pyridine - Heteroaromatic compound - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759818
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759818
IUPAC Name	(1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
INCHI	InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m0/s1
InChIKey	CULUKMPMGVXCEI-VHSXEESVSA-N
Smiles	CN1CC2CC(C1)C3=CC=CC(=O)N3C2
Isomeric SMILES	CN1C[C@@H]2C[C@H](C1)C3=CC=CC(=O)N3C2
WGK Germany	3
RTECS	HA4400000
Molecular Weight	204.27
Reaxy-Rn	175205
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=175205&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

3 results found

Lot Number	Certificate Type	Date	Item
G2201026	Certificate of Analysis	Jun 05, 2022	N305311
F2230403	Certificate of Analysis	Jun 05, 2022	N305311
F2230476	Certificate of Analysis	Jun 05, 2022	N305311

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	204.270 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	204.126 Da
Monoisotopic Mass	204.126 Da
Topological Polar Surface Area	23.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	359.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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