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Berberine hydrochloride(CAS No. 633-65-8)

Berberine hydrochloride C20H18NO4.Cl (cas 633-65-8) Molecular Structure

633-65-8 Structure

Identification and Related Records

【Name】
Berberine hydrochloride
【CAS Registry number】
633-65-8
【Synonyms】
NSC 646666
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride (9CI)
Berberine, chloride (6CI,7CI)
Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-,chloride (8CI)
Berberinium chloride
【EINECS(EC#)】
211-195-9
【Molecular Formula】
C20H18NO4.Cl (Products with the same molecular formula)
【Molecular Weight】
371.82
【Inchi】
InChI=1/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
【Canonical SMILES】
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC
【MOL File】
633-65-8.mol

Chemical and Physical Properties

【Appearance】
yellow crystalline powder
【Density】
1.654g/cm3
【Melting Point】
200℃
【Water】
SOLUBLE IN COLD WATER
【Solubilities】
Water Solubility : SOLUBLE IN COLD WATER
【Color/Form】
YELLOW CRYSTALS
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
【Computed Properties】
Molecular Weight:336.36122 [g/mol]
Molecular Formula:C20H18NO4+
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:336.123583
MonoIsotopic Mass:336.123583
Topological Polar Surface Area:40.8
Heavy Atom Count:25
Formal Charge:1
Complexity:488
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Ring Count:5
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R20/21/22
【Safety Statements 】
S24/25
【HazardClass】
6.1(b)
【Safety】

Safety Information of Berberine hydrochloride (CAS NO.633-65-8):
Hazard Codes: XnHarmful
Risk Statements: 20/21/22-36/37/38??
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 1544
WGK Germany: 2
RTECS: DR9866400
F: 3-10
HazardClass: 6.1(b)
PackingGroup: III

【PackingGroup 】
III
【Transport】
1544
【Specification】

?Berberine hydrochloride , its CAS NO. is 633-65-8, the synonyms are 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate ; Benzodioxide ; Berberine chloride ; Berberinium chloride ; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride ; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride .

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】

An ingredient in some commercial eyewash products.

Biomedical Effects and Toxicity

【Therapeutic Uses】
EXPTL USE (VET): ORALLY ADMIN BERBERINE SULFATE (350-700 MG/KG) WAS EFFECTIVE IN TREATING CANDIDA ALBICANS INFECTIONS OF THE INTESTINE IN MICE.
EXPTL USE: DILATION OF HUMAN EYE PUPILS, TOPICAL ANESTHESIA &/OR FLUORESCENT STAINING OF CORNEAL EPITHELIAL DEFECTS &/OR FLUORESCENCE IN APPLANATION TONOMETRY, IS ACCOMPLISHED BY TOPICAL APPLICATION OF OPHTHALMIC SOLN OF HYDRASTIS COMPD SUCH AS BERBERINE.
/PRC: FORMER USES/ BITTER STOMACHIC; ANTIBACTERIAL; ANTIMALARIAL; ANTIPYRETIC /BERBERINE/
MILD LOCAL ANESTHETIC ON MUCOUS MEMBRANE. /BERBERINE/
【Biomedical Effects and Toxicity】
...MAY BE ABSORBED THROUGH THE SKIN... /BERBERINE/

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