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Truxipicurium Iodide

CAT: 0013-GTR19241917-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241917-01Size:50 mg
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Description
Truxipicurium is a neuromuscular blocking agent with a rigid, alpha-truxillic acid-derived structure. This curare-like compound is utilized in research for studying neuromuscular junction physiology and the mechanisms of paralysis in experimental models.
CAS Number
35515-77-6
Smiles
CC[N+]1 (CCCCC1) CCCOC ([C@H]2[C@H] (C3=CC=CC=C3) [C@@H] ([C@H]2C4=CC=CC=C4) C (OCCC[N+]5 (CCCCC5) CC) =O) =O.[I-].[I-]
Molecular Formula
C38H56I2N2O4
Molecular Weight
858.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Truxipicurium Iodide

See also: Truxipicurium Iodide (annotation moved to).

CAS Number35515-77-6
PubChem CID72151
IUPAC Namebis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
Molecular FormulaC38H56I2N2O4
Molecular Weight858.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count46
Formal Charge0
Complexity799
SMILES
CC[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC)C5=CC=CC=C5.[I-].[I-]
InChI
InChI=1S/C38H56N2O4.2HI/c1-3-39(23-13-7-14-24-39)27-17-29-43-37(41)35-33(31-19-9-5-10-20-31)36(34(35)32-21-11-6-12-22-32)38(42)44-30-18-28-40(4-2)25-15-8-16-26-40;;/h5-6,9-12,19-22,33-36H,3-4,7-8,13-18,23-30H2,1-2H3;2*1H/q+2;;/p-2
InChIKey
QQNIYTXGJWGMKM-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Truxipicurium Iodide
CAS: 35515-77-6
CID: 72151
Formula: C38H56I2N2O4
MW: 858.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight858.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass858.23295
Monoisotopic Mass858.23295
Topological Polar Surface Area52.6 Ų
Heavy Atom Count46
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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