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Chemical structure of Berberine ursodeoxycholate

GC66456

Berberine ursodeoxycholate

Also known as (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;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

Berberine ursodeoxycholate (HTD1801), an ionic salt of Berberine and Ursodeoxycholic acid, is an orally active and potent hypolipidemic agent· Berberine ursodeoxycholate shows significantly great reduction in liver fat content· Berberine ursodeoxycholate has a broad spectrum of metabolic activity· Berberine ursodeoxycholate can be used for the research of hyperlipidemia, non-alcoholic steatohepatitis (NASH) and diabetes

ChemicalCAS1868138-66-2MW727.93FormulaC44H57NO8
CAS number
1868138-66-2
Molecular weight
727.93
Formula
C44H57NO8
Solubility
DMSO ： 5 mg/mL (6·87 mM; ultrasonic and warming and heat to 60°C)
InChIKey
FHZVFXJRSFLYDY-FUXQPCDDSA-M
Catalogue number
GC66456
Brand
GLPBIO
Computed properties PubChem CID 137552085 · TPSA 121 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
121 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
53

SMILES C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

Computed descriptors from PubChem (CID 137552085), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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