Molecular Identity
Tetrandrine
(1S,14S)-9,20,21,25-tetramethoxy-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-dodecaene
PubChem CID: 73078
(+)-Tetrandrine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.
2D Structure
Properties
C38H42N2O6
Molecular Formula
622.70
Molecular Weight
g/mol
622.3043
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
61.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
979
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OCIsomeric SMILES
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)OC)OCSynonyms(20)
tetrandrine518-34-3D-Tetrandrine(+)-TetrandrineTetrandrinFanchinineSinomenine A(S,S)-TetrandrinehanjisongNSC-77037NSC7703729EX23D5AJTETRANDRINE, D-TETRANDRINE, (+)-(1beta)-6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tetrandrine
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