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Otilonium bromide

CAT: 1410-M13793-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M13793-05Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Otilonium bromide is an antimuscarinic.
CAS Number
26095-59-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
563.57
Molecular Formula
C29H43BrN2O4
Notes
Research use only, not for human use.
Receptor
MAChR| Calcium Channel

Chemical Information

Otilonium Bromide
CAS Number26095-59-0
PubChem CID72092
IUPAC Namediethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
Molecular FormulaC29H43BrN2O4
Molecular Weight563.6
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Heavy Atom Count36
Formal Charge0
Complexity599
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-]
InChI
InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H
InChIKey
VWZPIJGXYWHBOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Otilonium Bromide
CAS: 26095-59-0
CID: 72092
Formula: C29H43BrN2O4
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count17
Exact Mass562.24062
Monoisotopic Mass562.24062
Topological Polar Surface Area64.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T1474-01Otilonium bromide
HY-B0499A-01Otilonium (bromide)
HY-B0499AS1-01Otilonium-d4 (bromide)
HY-B0499AR-01Otilonium (bromide) (Standard)
AR-O01568-01Otilonium-d4 Bromide
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