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Amoproxan

CAT: 0931-T30024-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30024-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22661-76-3
Target
Others
Related Pathways
Others
Bioactivity
Amoproxan is a coronary dilator agent.
Smiles
C(OC(CN1CCOCC1)COCCC(C)C)(=O)C2=CC(OC)=C(OC)C(OC)=C2
Molecular Formula
C22H35NO7
Molecular Weight
425.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amoproxan
CAS Number22661-76-3
PubChem CID31473
IUPAC Name[1-(3-methylbutoxy)-3-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
Molecular FormulaC22H35NO7
Molecular Weight425.5
XLogP3
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity470
SMILES
CC(C)CCOCC(CN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H35NO7/c1-16(2)6-9-29-15-18(14-23-7-10-28-11-8-23)30-22(24)17-12-19(25-3)21(27-5)20(13-17)26-4/h12-13,16,18H,6-11,14-15H2,1-5H3
InChIKey
YOKPRDAUBGOISU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amoproxan
CAS: 22661-76-3
CID: 31473
Formula: C22H35NO7
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass425.24135246
Monoisotopic Mass425.24135246
Topological Polar Surface Area75.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes