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Succinylcholine chloride dihydrate

CAT: 0862-GL8882-5gSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0862-GL8882-5gSize:5 g
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CAS Number
6101-15-1
EC Number
200-747-4
UN Code
2811
MDL Number
MFCD00150564
HS Code
29239000900
Purity
98.00%
Molecular Formula
C14H30Cl2N2O4 · 2H2O
Molecular Weight
397.34
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

Succinylcholine chloride dihydrate

Succinylcholine chloride dihydrate is a hydrate that is the dihydrate form of succinylcholine chloride. It has a role as a muscle relaxant. It contains a succinylcholine chloride (anhydrous).

CAS Number6101-15-1
PubChem CID656867
IUPAC Nametrimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium;dichloride;dihydrate
Molecular FormulaC14H34Cl2N2O6
Molecular Weight397.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity284
SMILES
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.O.O.[Cl-].[Cl-]
InChI
InChI=1S/C14H30N2O4.2ClH.2H2O/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;;;/h7-12H2,1-6H3;2*1H;2*1H2/q+2;;;;/p-2
InChIKey
FFSBEIRFVXGRPR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Succinylcholine chloride dihydrate
CAS: 6101-15-1
CID: 656867
Formula: C14H34Cl2N2O6
MW: 397.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass396.1793922
Monoisotopic Mass396.1793922
Topological Polar Surface Area54.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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