Arterolane Maleate manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as:
Molecular Formula
C21H34N2O4
Molecular Weight
378.5  g/mol
InChI Key
BRJULSXZDFYSPG-UHFFFAOYSA-N

Arterolane Maleate
1 2D Structure

Arterolane Maleate

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C21H34N2O4/c1-19(2,22)23-18(24)12-13-3-5-20(6-4-13)25-21(27-26-20)16-8-14-7-15(10-16)11-17(21)9-14/h13-17H,3-12,22H2,1-2H3,(H,23,24)
2.1.2 InChI Key
BRJULSXZDFYSPG-UHFFFAOYSA-N
2.1.3 Canonical SMILES
CC(C)(N)NC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2
2.2 Create Date
2011-05-02
3 Chemical and Physical Properties
Molecular Weight 378.5 g/mol
Molecular Formula C21H34N2O4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass378.25185757 g/mol
Monoisotopic Mass378.25185757 g/mol
Topological Polar Surface Area82.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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