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10097-84-4

Basic Information
CAS No.: 10097-84-4
Name: Tetrahydropalmatine
Molecular Structure:
Molecular Structure of 10097-84-4 (Tetrahydropalmatine)
Formula: C21H25NO4
Molecular Weight: 355.43
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
Melting Point:
Boiling Point: 482.9 °C at 760 mmHg
Flash Point: 138.7 °C
Solubility:
Appearance: light yellow powder crystal
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 40.16000
LogP: 3.31440
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  • Rotundine

  • Casno:

    10097-84-4

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  • Best Quality Rotundine

  • Casno:

    10097-84-4

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    Product name: Rotundine CAS No.:10097-84-4 Molecule Formula:C21H25NO4 Molecule Weight:355.43 Purity: 98.0% Package: 25kg/drum Description:White or light yellow crystalline powder Manufacture Standards:Enterprise Standard

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  • TetrahydropalmatineCAS NO.: 10097-84-4

  • Casno:

    10097-84-4

    TetrahydropalmatineCAS NO.: 10097-84-4

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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,