Berberine hydrogen sulphate

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;hydrogen sulfate

CAS: 633-66-9

Molecular Formula	`C20H19NO8S`
Molecular Weight	433.4 g/mol
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	433.08313
Heavy Atoms	30
Complexity	564.0

Chemical Identifiers

CAS Number	633-66-9
SMILES	`COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.OS(=O)(=O)[O-]`
InChIKey	`JISRTQBQFQMSLG-UHFFFAOYSA-M`

📖 Product Overview

Berberine hydrogen sulphate (CAS: 633-66-9) is a chemical compound with molecular formula C20H19NO8S and molecular weight 433.4 g/mol. Its IUPAC systematic name is 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;hydrogen sulfate. Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 2 Exact Mass 433.08313 Heavy Atoms 30 Complexity 564.0 InChI Key: JISRTQBQFQMSLG-UHFFFAOYSA-M. SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.OS(=O)(=O)[O-].

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