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3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-1-methyl- (304-21-2)

Identification
Name:3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-1-methyl-
Synonyms:Harmaline(6CI);Harmidine (7CI);1-Methyl-7-methoxy-3,4-dihydro-b-carboline;3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;3,4-Dihydroharmine;NSC407285;
CAS:304-21-2
EINECS: 206-152-6
Molecular Formula: C13H14N2O
Molecular Weight: 214.2631
InChI: InChI=1/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
Molecular Structure: (C13H14N2O) Harmaline(6CI);Harmidine (7CI);1-Methyl-7-methoxy-3,4-dihydro-b-carboline;3,4-Dihydro-7-methoxy-1-me...
Properties
Transport:1544
Density:1.25 g/cm3
Refractive index:1.647
Solubility:Slightly soluble in water, alcohol, ether; quite soluble in hot alcohol, dilute acids
Soluble in chloroform, pyridine
In water, 6.76X10-2 mg/L at 25 deg C (est)
Specification:

The Harmaline with the CAS number 304-21-2 is also called 1-Methyl-7-methoxy-3,4-dihydro-b-carboline. The systematic name is 3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-1-methyl-. Its EINECS registry number is 206-152-6. The molecular formula is C13H14N2O. This chemical belongs to the following product categories: (1)Indoles and derivatives; (2)Heterocyclic Compound.

Uses: This chemical can react with acetic acid anhydride to prepare 2-acetyl-7-methoxy-1-methylene-2,3,4,9-tetrahydro-1H-b-carboline. This reaction needs reagent CH3COONa at temperature of 28 - 30 °C. The reaction time is 45 min. The yield is 80%.

While using this chemical, you should be very cautious. This chemical is toxic if swallowed and harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly you should not breathe dust. Then you should wear suitable protective clothing. Finally you should avoid this chemical contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: c12c3c([nH]c1C(=NCC2)C)cc(cc3)OC
(2)InChI: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 120mg/kg (120mg/kg)   Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
rabbit LDLo intravenous 20mg/kg (20mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA		 Neuropharmacology. Vol. 10, Pg. 15, 1971.
 
rat LD50 subcutaneous 120mg/kg (120mg/kg)   Veterinary and Human Toxicology. Vol. 33, Pg. 276, 1991.

Packinggroup: III
Color: Orthorhombic bipyramidal prisms, tablets from methanol, rhombic octahedra from ethanol
Safety Data
 

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