CAS No.10097-84-4,Tetrahydropalmatine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10097-84-4
Name:	Tetrahydropalmatine
Article Data:	16

Formula:	C₂₁H₂₅NO₄
Molecular Weight:	355.434
Synonyms:	Rotundine;5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g] quinolizine;
EINECS:	1592732-453-0
Density:	1.23 g/cm³
Boiling Point:	482.9 °C at 760 mmHg
Flash Point:	138.7 °C
Appearance:	light yellow powder crystal
Safety:	24/25
PSA:	40.16000
LogP:	3.31440

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Specification

The Tetrahydropalmatine, with the CAS registry number 10097-84-4, is also known as 6H-Dibenzo(a,g)quinolizine, 5,8,13,13alpha-tetrahydro-2,3,9,10-tetramethoxy-. It belongs to the product categories of Alkaloids; Miscellaneous Natural Products. This chemical's molecular formula is C₂₁H₂₅NO₄ and molecular weight is 355.4275. Its IUPAC name is called (13alphaS)-2,3,9,10-tetramethoxy-6,8,13,13alpha-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline. This chemical's classification codes are Adrenergic Agents; Analgesics; Analgesics, non-narcotic; Anti-arrhythmia Agents; Antihypertensive Agents; Antipsychotic Agents; Calcium Channel Blockers; Cardiovascular Agents; Central; Nervous System Agents; Central; Nervous System Depressants; Dopamine Agents; Dopamine antagonists; Membrane Transport Modulators; Neurotransmitter Agents; Peripheral Nervous System Agents; Psychotropic Drugs; Sensory System Agents; Tranquilizing Agents. Tetrahydropalmatine (THP) is an alkaloid found in several different plant species, mainly in the Corydalis family, but also in other plants such as Stephania rotunda. These plants have traditional uses in Chinese herbal medicine.

Physical properties of Tetrahydropalmatine: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 33.16; (5)ACD/BCF (pH 7.4): 337.87; (6)ACD/KOC (pH 5.5): 212.85; (7)ACD/KOC (pH 7.4): 2168.52; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.608; (11)Molar Refractivity: 99.83 cm³; (12)Molar Volume: 288.4 cm³; (13)Surface Tension: 51.8 dyne/cm; (14)Density: 1.23 g/cm³; (15)Flash Point: 138.7 °C; (16)Enthalpy of Vaporization: 74.79 kJ/mol; (17)Boiling Point: 482.9 °C at 760 mmHg; (18)Vapour Pressure: 1.76E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
(2)Isomeric SMILES: COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
(3)InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1
(4)InChIKey: AEQDJSLRWYMAQI-KRWDZBQOSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		French Medicament Patent Document. Vol. #4818M,