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Bevenopran

CAT: 1410-M26628-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M26628-03Size:10 mg
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Description
Bevenopran is a peripheral antagonist of μ-opioid receptor and can be used in studies about the treatment of opioid-induced bowel dysfunction.
CAS Number
676500-67-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.452
Molecular Formula
C20H26N4O4
Notes
Research use only, not for human use.
Receptor
Acidic mammalian chitinase (AMCase) | Chitotriosidase (CHIT1)

Chemical Information

Bevenopran

Bevenopran is an aromatic ether.

CAS Number676500-67-7
PubChem CID10452732
IUPAC Name5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide
Molecular FormulaC20H26N4O4
Molecular Weight386.4
XLogP1.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity475
SMILES
COC1=C(C=CC(=C1)CNCCC2CCOCC2)OC3=NC=C(N=C3)C(=O)N
InChI
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
InChIKey
ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bevenopran
CAS: 676500-67-7
CID: 10452732
Formula: C20H26N4O4
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass386.19540532
Monoisotopic Mass386.19540532
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity475
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