O-Methyldauricine

Catalog Number	ACM2202177-1
CAS Number	2202-17-7
Structure
Description	O-Methyldauricine is a bisbenzylisoquinoline alkaloid that has been found to have haemodynamic effects, such as stabilizing the heart, when administered in high doses. It can also be used as a competitive antagonist of chloride ions. O-Methyldauricine has been shown to be synthesized by the conversion of daurisoline, which is an aporphine with two methyl groups on the nitrogen atom and one methoxy group on the benzene ring. The synthesis of O-Methyldauricine starts with sodium hydroxide solution and dihydroisoquinoline, followed by treatment with hydrochloric acid in water. This reaction produces daurisoline and hydrogen chloride gas. When the hydrogen chloride gas is bubbled through a solution containing sodium hydroxide and methanol, it converts daurisoline into O-methylated daurisoline. The final step of this process is
Synonyms	Dauricine methylether
Molecular Weight	638.79 g/mol
Molecular Formula	C39H46N2O6
Canonical SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
InChI	InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m1/s1
InChI Key	UHYCXSGUNAWVBW-CZNDPXEESA-N
Purity	95%+
Density	1.156g/cm³
Storage	store at 2℃-8℃, close container well
Complexity	948
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	638.33558719
Harmonized Tariff Code	Switzerland: 29397900 - USA: 2939790000 - Slovakia: 2939799090 - UK: 2939490090 - China: 2939799099
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
MDL Number	MFCD00221747
Monoisotopic Mass	638.33558719
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	61.9 Ų

Custom Q&A

What is the chemical formula for O-METHYLDAURICINE?

The chemical formula for O-METHYLDAURICINE is C39H46N2O6.

What is the molecular weight of O-METHYLDAURICINE?

The molecular weight of O-METHYLDAURICINE is 638.79.

What are some synonyms for O-METHYLDAURICINE?

Some synonyms for O-METHYLDAURICINE are O-Methyldauricine and (-)-O-Methyldauricine.

What are the product categories that O-METHYLDAURICINE belongs to?

O-METHYLDAURICINE belongs to the product category of alkaloids.

What is a common use of O-METHYLDAURICINE?

O-METHYLDAURICINE is commonly used as an isoquinoline derivative extracted from plants and displays antibacterial activity.

What specific activity has O-METHYLDAURICINE been shown to modulate?

O-METHYLDAURICINE has been shown to modulate chloroquine resistance in Plasmodium falciparum.

How is O-METHYLDAURICINE extracted?

O-METHYLDAURICINE is extracted from plants.

What is the stereochemistry of O-METHYLDAURICINE?

O-METHYLDAURICINE has a stereochemistry of (1R).

How many carbons, hydrogens, nitrogens, and oxygens are present in the chemical structure of O-METHYLDAURICINE?

The chemical structure of O-METHYLDAURICINE contains 39 carbon atoms, 46 hydrogen atoms, 2 nitrogen atoms, and 6 oxygen atoms.

What is the CAS number for O-METHYLDAURICINE?

The CAS number for O-METHYLDAURICINE is 2202-17-7.

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