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Berberine Chloride Hydrate

CAT: 0572-TRC-B318150-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B318150-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
633-65-8
Synonyms
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; Berberine, chloride; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride; Berberine hydrochloride; Berberinium chloride; NSC 163088; NSC 646666
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Cl-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
Molecular Formula
C20 H18 N O4 . Cl
Molecular Weight
371.81
InChI
InChI=1S/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
Additionnal Information
IUPAC name: 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Berberine chloride

Berberine chloride (TN) is an organic molecular entity.

CAS Number633-65-8
PubChem CID12456
IUPAC Name16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
Molecular FormulaC20H18ClNO4
Molecular Weight371.8
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity488
SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]
InChI
InChI=1S/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
InChIKey
VKJGBAJNNALVAV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Berberine chloride
CAS: 633-65-8
CID: 12456
Formula: C20H18ClNO4
MW: 371.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass371.0924357
Monoisotopic Mass371.0924357
Topological Polar Surface Area40.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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