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Distigmine Bromide

CAT: 1596-AR-D01996-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01996-06Size:250 Units
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CAS Number
15876-67-2
Synonyms
3,3'- (((hexane-1,6-diylbis (methylazanediyl) ) bis (carbonyl) ) bis (oxy) ) bis (1-methylpyridin-1-ium) bromide; Hexamethylenebis[methylcarbamate] 3-Hydroxy-1-methylpyridinium Bromide; 3,3'-[1,6-Hexanediylbis[ (methylimino) carbonyl]oxy]bis[1-methyl-pyridinium Dibromide; BC 51; Distigmine Dibromide; Hexamarium; N, N'-Hexamethylenebis (3-N-methylcarbamoxy-1-methylpyridine) dibromide; Ubretid; Ubritil; 3,3'- (((Hexane-1,6-diylbis (methylazanediyl) ) bis (carbonyl) ) bis (oxy) ) bis (1-methylpyridin-1-ium) Bromide; Distigmine Bromide
Molecular Formula
C22H32N4O4. 2 Br
Molecular Weight
416.52 2x79.90
API Name
Distigmine Bromide

Chemical Information

Distigmine Bromide

Distigmine bromide is an organic bromide salt of distigmine. It is an anticholinesterase drug used for the treatment of myasthenia gravis and postoperative urinary retention. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor. It is a pyridinium salt and an organic bromide salt. It contains a distigmine.

CAS Number15876-67-2
PubChem CID27522
IUPAC Name(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate dibromide
Molecular FormulaC22H32Br2N4O4
Molecular Weight576.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity487
SMILES
C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C.[Br-].[Br-]
InChI
InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
GJHSNEVFXQVOHR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Distigmine Bromide
CAS: 15876-67-2
CID: 27522
Formula: C22H32Br2N4O4
MW: 576.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass576.07698
Monoisotopic Mass574.07903
Topological Polar Surface Area66.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity487
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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