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Cycleanine

CAT: 1596-AR-C08567-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08567-03Size:50 Units
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CAS Number
518-94-5
Molecular Formula
C38H42N2O6
Molecular Weight
622.76
API Name
Cycleanine

Chemical Information

Cycleanine

Cycleanine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

CAS Number518-94-5
PubChem CID121313
IUPAC Name(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
Molecular FormulaC38H42N2O6
Molecular Weight622.7
XLogP6.7
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity895
SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC
InChI
InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChIKey
ANOXEUSGZWSCQL-LOYHVIPDSA-N
Chemical Structure
2D Structure
2D structure of Cycleanine
CAS: 518-94-5
CID: 121313
Formula: C38H42N2O6
MW: 622.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.7
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass622.30428706
Monoisotopic Mass622.30428706
Topological Polar Surface Area61.9 Ų
Heavy Atom Count46
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2673Cycleanine

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