Isotetrandrine, (+)- structure

Isotetrandrine, (+)-

(1S,14R)-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

Also Known As: Isotetrandrine|Isosinomenin A|Isosinomenine A|O-Methylberbamine|(R,S)-Tetrandrine|tetrandrine|(+)-Isotetrandrine|Isotetrandine|O,O'-Dimethylobamegine|1-ISOTETRANDRINE|O,O'-Dimethylstepholine|2-Methylberbamine|Pheanthine (R,R)|Berbamine methyl ether|Isotetrandrine (R,S)|(+/-)-Isotetrandrine|tetramethoxy(dimethyl)[?]|Isotetrandrine, (+/-)-|NCIMech_000062|ISOTETRANDRINE, (+)-|NCIStruc1_000265|NCIStruc2_000039|1-Isotetrandrine, (+/-)-|ISOTETRANDRINE [WHO-DD]|6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman|HY-N6045

CAS: 5956-77-4
Molecular Formula C38H42N2O6
Molecular Weight 622.30426 g/mol
LogP 6.4
Topological Polar Surface Area 61.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 4
Exact Mass 622.30426
Monoisotopic Mass 622.30426
Heavy Atoms 46
Complexity 979.0

Chemical Identifiers

CAS Number 5956-77-4
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)OC
InChIKey WVTKBKWTSCPRNU-XZWHSSHBSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (1 patents)

Product Overview

Isotetrandrine, (+)- (CAS 5956-77-4), with molecular formula C38H42N2O6 and molecular weight 622.30426 g/mol. IUPAC: (1S,14R)-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.

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