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Homatropine Methylbromide

CAT: 1568-C09841-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C09841-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-49-9
Target
AChR
Applications
Neuronal Signaling
Smiles
C[N+]1 (C2CCC1CC (C2) OC (=O) C (C3=CC=CC=C3) O) C.[Br-]
Molecular Formula
C17H24NO3.Br
Additionnal Information
Homatropine Methylbromide is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

Homatropine Methylbromide

Homatropine methylbromide is an azabicycloalkane and an organic bromide salt. It has a role as a muscarinic antagonist, an anti-ulcer drug and an antispasmodic drug.

CAS Number80-49-9
PubChem CID6646
IUPAC Name(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide
Molecular FormulaC17H24BrNO3
Molecular Weight370.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1
InChIKey
FUFVKLQESJNNAN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Homatropine Methylbromide
CAS: 80-49-9
CID: 6646
Formula: C17H24BrNO3
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass369.09396
Monoisotopic Mass369.09396
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T0427-01Homatropine Methylbromide
HY-B1388-01Homatropine (methylbromide)
HY-B1388R-01Homatropine (methylbromide) (Standard)
AR-A02941-01Homatropine Methylbromide EP Impurity E (Atropine Methylbromide)
AR-H07618-01Homatropine Methylbromide EP Impurity A Bromide
HY-B0547Homatropine
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