Berberine chloride hydrate structure

Berberine chloride hydrate

16,17-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;hydrate

Also Known As: Berberine chloride hydrate|berberine|Natural Yellow 18|Berberine (chloride hydrate)|Berberinehydrochloride|Berberinechloridehydrate|Berberine chloride xhydrate|starbld0019672|Natural Yellow 18 Hydrate|Berberine Chloride Hydrate|Berberine chloride monohydrate|Natural Yellow 18 chloride hydrate|1-Hydroxypseudodiethylstilbestrol|KS-00000VXN|9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride hydrate|1636AH|6555AF|AC-4573|CS-3213|FS-4088|Dimethyl-(4-pyrazin-2-yl-phenyl)-amine

CAS: 68030-18-2
Molecular Formula C20H20ClNO5
Molecular Weight 389.103 g/mol
LogP -0.7244
Topological Polar Surface Area 41.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 389.103
Monoisotopic Mass 389.103
Heavy Atoms 27
Complexity 488.0

Chemical Identifiers

CAS Number 68030-18-2
SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-]
InChIKey BPNJXFPOPCFZOC-UHFFFAOYSA-M

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (8 patents) Heterocyclic Building Blocks (2 patents) Pharmaceutical Intermediates (22 patents)

Product Overview

Berberine chloride hydrate (CAS 68030-18-2), with molecular formula C20H20ClNO5 and molecular weight 389.103 g/mol. IUPAC: 16,17-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;hydrate.

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