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Bevenopran

CAT: 0931-T14551-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14551-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
676500-67-7
Target
Opioid Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Endocrinology/Hormones
Purity
0.989
Bioactivity
Bevenopran (CB-5945) is a peripheral antagonist of μ-opioid receptor and can be used in studies about the treatment of opioid-induced bowel dysfunction.
Smiles
COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(cn1)C(N)=O
Molecular Formula
C20H26N4O4
Molecular Weight
386.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
BUP15272-01Bevenopran
A17110-5Bevenopran 5mg
A17110-50Bevenopran 50mg
A17110-200Bevenopran 200mg
A17110-100Bevenopran 100mg
A17110-1Bevenopran 1mg
A17110-25Bevenopran 25mg
A17110-10Bevenopran 10mg
A17110-10mM-DBevenopran 10mM * 1mL in DMSO

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