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Trimethaphan bromide

CAT: 0013-GTR19237865-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237865-02Size:50 mg
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Description
Trimethaphan bromide is a nicotinic acetylcholine receptor antagonist that functions as a ganglionic blocker. It is utilized in research applications, including in vitro receptor studies and in vivo models, for investigating autonomic physiology and hypertensive mechanisms.
CAS Number
21035-85-8
Smiles
[Br-].O=C1N (CC=2C=CC=CC2) C3C[S+]4CCCC4C3N1CC=5C=CC=CC5
Molecular Formula
C22H25BrN2OS
Molecular Weight
445.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3-Dibenzyldecahydro-2-oxothieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium bromide
CAS Number21035-85-8
PubChem CID10114452
IUPAC Name3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one bromide
Molecular FormulaC22H25BrN2OS
Molecular Weight445.4
Topological Polar Surface Area24.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity514
SMILES
C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5.[Br-]
InChI
InChI=1S/C22H25N2OS.BrH/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18;/h1-6,8-11,19-21H,7,12-16H2;1H/q+1;/p-1
InChIKey
RLXRHLGEJDJGKC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1,3-Dibenzyldecahydro-2-oxothieno(1',2':1,2)thieno(3,4-d)imidazol-5-ium bromide
CAS: 21035-85-8
CID: 10114452
Formula: C22H25BrN2OS
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass444.08710
Monoisotopic Mass444.08710
Topological Polar Surface Area24.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity514
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