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Homatropine Bromide

CAT: 1410-M14794-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Homatropine Bromide is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors.
CAS Number
51-56-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
356.26
Molecular Formula
C16H22BrNO3
Notes
Research use only, not for human use.
Receptor
MAChR (SHR-E) | mAChR (WKY-E)

Chemical Information

Homatropine hydrobromide

See also: Homatropine Hydrobromide (annotation moved to); Homatropine (annotation moved to).

CAS Number51-56-9
PubChem CID6419941
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrobromide
Molecular FormulaC16H22BrNO3
Molecular Weight356.25
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity340
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br
InChI
InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;
InChIKey
DWSGTFTVBLXELC-MOTQWOLNSA-N
Chemical Structure
2D Structure
2D structure of Homatropine hydrobromide
CAS: 51-56-9
CID: 6419941
Formula: C16H22BrNO3
MW: 356.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.25
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass355.07831
Monoisotopic Mass355.07831
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes