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Dihydrochelirubine

CAT: 0013-GTR19260702Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260702Size:5 mg
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Description
Dihydrochelirubine
CAS Number
28342-26-9
Purity
95.0% (HPLC)
Notes
For research use only.

Chemical Information

Dihydrochelirubine

Dihydrochelirubine is a benzophenanthridine alkaloid that is dihydrosanguinarine bearing a methoxy substituent at position 10. It has a role as a metabolite. It is functionally related to a dihydrosanguinarine.

CAS Number28342-26-9
PubChem CID440589
IUPAC Name15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21-octaene
Molecular FormulaC21H17NO5
Molecular Weight363.4
XLogP4.1
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity575
SMILES
CN1CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3
InChI
InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3
InChIKey
JPXUJRDPZQUCNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrochelirubine
CAS: 28342-26-9
CID: 440589
Formula: C21H17NO5
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass363.11067264
Monoisotopic Mass363.11067264
Topological Polar Surface Area49.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity575
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
HY-N10366Dihydrochelirubine

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