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Acronycine

CAT: 0926-HAA00842-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-HAA00842-02Size:10 mg
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CAS Number
7008-42-6
MDL Number
MFCD00866333
Smiles
CC1=CC (=O) C2=C (C1=O) C=NN2
Molecular Formula
C20H19NO3
Molecular Weight
321.40 g/mol
Controlled
No

Chemical Information

Acronycine

Acronycine is an alkaloid antineoplastic agent isolated from Acronychia baueri. It has a role as a metabolite and an antineoplastic agent. It is an alkaloid and a member of acridone derivatives.

CAS Number7008-42-6
PubChem CID345512
IUPAC Name6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Molecular FormulaC20H19NO3
Molecular Weight321.4
XLogP3.7
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity543
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C
InChI
InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
InChIKey
SMPZPKRDRQOOHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acronycine
CAS: 7008-42-6
CID: 345512
Formula: C20H19NO3
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass321.13649347
Monoisotopic Mass321.13649347
Topological Polar Surface Area38.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity543
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
TRC-A191225-100MGAcronycine
T131464-01Acronycine (Acronine)

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