Melicopidine

CAT: 0926-FM65850-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FM65850-02Size:100 mg

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CAS Number

475-91-2

Smiles

CN1C2=CC=CC=C2C (=O) C3=C1C (=C4C (=C3OC) OCO4) OC

Molecular Formula

C17H15NO5

Molecular Weight

313.3 g/mol

Controlled

Chemical Information

4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one

Melicopidine is a member of acridines. It is functionally related to an acridone.

CAS Number	475-91-2
PubChem CID	68060
IUPAC Name	4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
Molecular Formula	C17H15NO5
Molecular Weight	313.30
XLogP	2.9
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	472

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC

InChI

InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3

InChIKey

TZZNUDMEMFBPQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 475-91-2

CID: 68060

Formula: C17H15NO5

MW: 313.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.30
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	313.09502258
Monoisotopic Mass	313.09502258
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM66023-01	Melicopicene
FM65855-01	Melicopine

Catalog	Name
HY-N15597	Melicopidine