Basic information
- CAS
114-80-7- Standard SMILES
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-]- InChIKey
LULNWZDBKTWDGK-UHFFFAOYSA-M- Molecular formula
- C12H19BrN2O2
- Average molar mass
- 303.2 g/mol
- Monoisotopic mass
- 302.06299
Overview
Neostigmine bromide is the bromide salt of neostigmine. It contains a neostigmine.
Names & identifiers
- Preferred name
- Neostigmine Bromide
- IUPAC
- [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
- English name
- Neostigmine bromide
- Molecular formula
- C12H19BrN2O2
- Molecular weight
- 303.2
Names & synonyms
neostigmine bromide114-80-7Neoserine bromideKirkstigmine bromideEustigmin bromideVagostigminLeostigmine bromideneo-ProserinSyntostigmin bromideProserine bromideStigmanol bromideSynstigmin bromide
Show more names
ProstigmiNeostigminNeoesserinprostigminNeoserine)JuvastigminPROSTIGMINEstigmosanbromidestigmanolbromideeustigminbromide
Neostigmini bromidumPhilostigmin bromideNeo proserineBromure de neostigmineBromuro de neostigminaNeostigmine methyl bromideNeoproserineDTXSID9041075
Database identifiers
- CAS
114-80-7- PubChem CID
- 8246
- DTXSID
DTXSID9041075- ChEMBL
CHEMBL54126- ChEBI
CHEBI:179557
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Solubility>45.5 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section153.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 175 · 175-177 °C(lit.)
- Density
- 1.4344 · 1.4344 (rough estimate)
- refractive index
- 1.541 · 1.5410 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 2 O: · H2O: 1 g/mL
- form
- powder
- color
- white
- PH
- 5.2 · 5.2~6.2 (100g/l, 25℃)
- Water Solubility
- 1 g/ · 1 g/ mL
- Merck
- 14 · 14,6464
- BCS Class
- 3 · 3
- InChI
- 1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (95.1%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (95.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- BR3150000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29239000
- risk_code
- 26/27/28-36/37/38-42/43-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T+,T
- safety_code
- 22-26-36/37/39-45-37/39-28A
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.
Applications
Usesantiscorbutic, antiviral
UsesCholinergic; miotic; antidote (curare)
UsesA reversible acetylcholinesterase inhibitor
UsesNeostigmine bromide has been used as an acetyl cholinesterase (AChE) inhibitor: to control reaction specificity of acetylcholinesterase in coronal organ of Botryllus schlosseri.to study its effects on abnormal contraction of pyloric circular smooth muscle strips (PCSMS).to study its effects on depolarization of bag cell neurons.
General DescriptionNeostigmine bromide, (m-hydroxyphenyl)trimethylammonium bromide dimethylcarbamateor the dimethylcarbamic ester of 3-hydroxyphenyltrimethylammoniumbromide (Prostigmin bromide), is usedas an antidote to nondepolarizing neuromuscular blockingdrugs and in the treatment of myasthenia gravis. It occurs asa bitter, odorless, white, crystalline powder. It is soluble inwater and alcohol. The crystals are much less hygroscopicthan those of neostigmine methylsulfate and thus may beused in tablets. Solutions are stable and may be sterilized byboiling. Aqueous solutions are neutral to litmus.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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