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Bimolane

CAT: 1410-M19065-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M19065-01Size:1 Each
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Description
Bimolane is a topoisomerase II inhibitor.
CAS Number
74550-97-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
452.51
Molecular Formula
C20H32N6O6
Notes
Research use only, not for human use.
Receptor
Topo II

Chemical Information

Bimolane

structure given in first source

CAS Number74550-97-3
PubChem CID100708
IUPAC Name1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
Molecular FormulaC20H32N6O6
Molecular Weight452.5
XLogP-1.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
C1COCCN1CN2C(=O)CN(CC2=O)CCN3CC(=O)N(C(=O)C3)CN4CCOCC4
InChI
InChI=1S/C20H32N6O6/c27-17-11-23(12-18(28)25(17)15-21-3-7-31-8-4-21)1-2-24-13-19(29)26(20(30)14-24)16-22-5-9-32-10-6-22/h1-16H2
InChIKey
JGQGCJKPBAYEHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bimolane
CAS: 74550-97-3
CID: 100708
Formula: C20H32N6O6
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP3-1.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass452.23833276
Monoisotopic Mass452.23833276
Topological Polar Surface Area106 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T3481-01Bimolane

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