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Dihydronitidine

CAT: 0013-GTR19218412-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218412-02Size:50 mg
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Description
Dihydronitidine is a natural alkaloid isolated from Zanthoxylum rhoifolium. This small molecule is utilized in research for studying its reported biological activities, including investigations into its antitumor and antimicrobial properties in both in vitro and in vivo experimental models.
CAS Number
13063-06-4
Smiles
O (C=1C=C2C=3C=CC4=CC=5OCOC5C=C4C3N (C) CC2=CC1OC) C
Molecular Formula
C21H19NO4
Molecular Weight
349.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dihydronitidine

Dihydronitidine has been reported in Zanthoxylum myriacanthum, Toddalia asiatica, and other organisms with data available.

CAS Number13063-06-4
PubChem CID99641
IUPAC Name2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Molecular FormulaC21H19NO4
Molecular Weight349.4
XLogP4.2
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity516
SMILES
CN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC
InChI
InChI=1S/C21H19NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-9H,10-11H2,1-3H3
InChIKey
MTVOSXTZNVKGIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydronitidine
CAS: 13063-06-4
CID: 99641
Formula: C21H19NO4
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass349.13140809
Monoisotopic Mass349.13140809
Topological Polar Surface Area40.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity516
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
T82553-01Dihydronitidine

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