CAS No.475-83-2,NUCIFERINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	475-83-2
Name:	NUCIFERINE
Article Data:	8

Formula:	C₁₉H₂₁NO₂
Molecular Weight:	295.381
Synonyms:	4H-Dibenzo[de,g]quinoline,5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-;6ab-Aporphine, 1,2-dimethoxy- (8CI);Nuciferine (6CI,7CI);(-)-Nuciferine;(R)-1,2-Dimethoxyaporphine;(R)-Nuciferine;1,2-Dimethoxy-6ab-aporphine;D-(-)-Nuciferine;Nuciferin;Sanjoinine E;l-Nuciferine;
Density:	1.15 g/cm³
Melting Point:	165.5°C
Boiling Point:	430.7 °C at 760 mmHg
Flash Point:	151.9 °C
Safety:	24/25
PSA:	21.70000
LogP:	3.39380

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Specification

The 1-Nuciferine is an organic compound with the formula C₁₉H₂₁NO₂. The systematic name of this chemical is (6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. With the CAS registry number 475-83-2, it is also named as (R)-1,2-Dimethoxyaporphine. The product's category is Miscellaneous Natural Products. It is an alkaloid found within the plants Nymphaea caerulea and Nelumbo nucifera. What's more, this chemical induces catalepsy, and it inhibits spontaneous motor activity, conditioned avoidance response, amphetamine toxicity and stereotypy.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 4.06; (6)ACD/BCF (pH 7.4): 204.23; (7)ACD/KOC (pH 5.5): 21.12; (8)ACD/KOC (pH 7.4): 1062.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 87.45 cm³; (15)Molar Volume: 256.7 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Enthalpy of Vaporization: 68.62 kJ/mol; (18)Vapour Pressure: 1.27E-07 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 295.157229; (21)MonoIsotopic Mass: 295.157229; (22)Topological Polar Surface Area: 21.7; (23)Heavy Atom Count: 22; (24)Complexity: 401.

Uses of 1-Nuciferine: It can be used to produce 1,2-dimethoxy-6-methyl-4,5,6a,7-tetrahydro-dibenzo[de,g]quinoline 6-oxide. This reaction needs reagent m-CPBA and solvent CHCl₃ at ambient temperature. The reaction time is 1 hours. The yield is 32%.

People can use the following data to convert to the molecule structure.
1. SMILES:O(c4cc3c2c(c1c(cccc1)C[C@H]2N(CC3)C)c4OC)C
2. InChI:InChI=1/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1
3. InChIKey:ORJVQPIHKOARKV-OAHLLOKOBA

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	83mg/kg (83mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmaceutical Sciences. Vol. 61, Pg. 813, 1972.
mouse	LD50	oral	240mg/kg (240mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 197, Pg. 261, 1972.
rat	LD50	oral	280mg/kg (280mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 197, Pg. 261, 1972.