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Propantheline (bromide)

CAT: 0804-HY-B1188-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1188-01Size:100 mg
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Description
Propantheline bromide is an orally active mAChR antagonist. Propantheline bromide can be used in the research of smooth muscle dysfunction, excessive sweating, cramps or spasms of the stomach, intestines or bladder, and involuntary urination[1][2][3].
CAS Number
50-34-0
UNSPSC
12352005
Hazard Statement
H302
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Propantheline-bromide.html
Purity
97.38
Solubility
DMSO : ≥ 100 mg/mL|H2O : 50 mg/mL (ultrasonic)
Smiles
CC([N+](C(C)C)(C)CCOC(C1C2=C(OC3=C1C=CC=C3)C=CC=C2)=O)C.[Br-]
Molecular Formula
C23H30BrNO3
Molecular Weight
448.39
Precautions
H302
References & Citations
[1]J Mokry, et al. Propantheline and in vitro reactivity of urinary bladder smooth muscle in guinea pigs. Bratisl Lek Listy. 2005;106 (4-5) :151-4. |[2]Richard Jewell, et al. Propantheline. xPharm: The Comprehensive Pharmacology Reference. 2007, Pages 1-5. |[3]S Kobayashi, et al. Effects of YM905, a novel muscarinic M3-receptor antagonist, on experimental models of bowel dysfunction in vivo. Jpn J Pharmacol. 2001 Jul;86 (3) :281-8.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Propantheline Bromide

Propantheline bromide is a member of xanthenes.

CAS Number50-34-0
PubChem CID9279
IUPAC Namemethyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
Molecular FormulaC23H30BrNO3
Molecular Weight448.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity474
SMILES
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-]
InChI
InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1
InChIKey
XLBIBBZXLMYSFF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Propantheline Bromide
CAS: 50-34-0
CID: 9279
Formula: C23H30BrNO3
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass447.14091
Monoisotopic Mass447.14091
Topological Polar Surface Area35.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity474
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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