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بربامین

Structure via PubChem · Public domain (PubChem)

EntityQ4891024· pop 6· linked from 322 articles

بربامین

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Berbamine is a calcium channel blocker.

Chemical data

Formula
C37H40N2O6
Molecular weight
608.7 g/mol
IUPAC name
(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
InChIKey
DFOCUWZXJBAUSQ-URLMMPGGSA-N
XLogP
6.1
Polar surface area
72.9 Ų
H-bond donors
1
H-bond acceptors
8
Formal charge
0

via PubChem

Drug data · ChEMBL

Molecule type
Small molecule

via ChEMBL · EBI

Wikidata facts

Mass
608.288637
Show 5 more facts
canonical SMILES
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
chemical formula
C₃₇H₄₀N₂O₆
found in taxon
Menispermum dauricum
subject has role
calcium channel blocker
isomeric SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Sources (2)

via Wikidata · CC0

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via Wikidata sitelinks · CC0