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Mantabegron

CAT: 0931-T69362-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69362-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36144-08-8
Target
Others
Related Pathways
Others
Bioactivity
Mantabegron is a beta3-adrenoreceptor agonist.
Smiles
N(CC(COC1=CC=CC=C1)O)C23CC4CC(C2)CC(C3)C4
Molecular Formula
C19H27NO2
Molecular Weight
301.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mantabegron
CAS Number36144-08-8
PubChem CID213044
IUPAC Name1-(1-adamantylamino)-3-phenoxypropan-2-ol
Molecular FormulaC19H27NO2
Molecular Weight301.4
XLogP3.6
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity336
SMILES
C1C2CC3CC1CC(C2)(C3)NCC(COC4=CC=CC=C4)O
InChI
InChI=1S/C19H27NO2/c21-17(13-22-18-4-2-1-3-5-18)12-20-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-17,20-21H,6-13H2
InChIKey
OVHWFGPUZGJWAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mantabegron
CAS: 36144-08-8
CID: 213044
Formula: C19H27NO2
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass301.204179104
Monoisotopic Mass301.204179104
Topological Polar Surface Area41.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity336
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

Alternative Products

CatalogName
MBS5811911Mantabegron
MBS5811835Mantabegron hydrochloride

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