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Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, iodide (1:1)

HCID 14596
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1212-37-9
Standard SMILES
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[I-]
InChIKey
IRBBYXNXNPIQLI-UHFFFAOYSA-M
Molecular formula
C12H19IN2O2
Average molar mass
350.2 g/mol
Monoisotopic mass
350.04913

Names & identifiers

Preferred name
Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, iodide (1:1)
IUPAC
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium iodide
English name
Neostigmine Iodide
Molecular formula
C12H19IN2O2
Molecular weight
350.19593

Names & synonyms

1212-37-9Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, iodide (1:1)Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, iodide (1:1)RefChem:1078182Neostigmine iodideAmmonium, (3-(dimethylcarbamoyloxy)phenyl)trimethyl-, iodide[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;iodideSB-24TL-13211212-37-9 (iodide)Neostigmine (iodide)Carbamic acid, dimethyl-, m-(trimethylammonio)phenyl ester, iodide
Show more names
SB24SB 24TL1321TL 1321
AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 3-dimethylaminophenyl ester, methiodideorb1695925SCHEMBL20425365SCHEMBL30029632DTXSID309237133-((dimethylcarbamoyl)oxy)-N,N,N-trimethylbenzenaminium iodideAKOS040753243

Database identifiers

CAS

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

Physicochemical properties

Melting point
167 °C · 167 °C

Chemistry & industry

Applications · 2 items

DescriptionNeostigmine Iodide is a parasympathomimetic compound that acts as a reversible acetylcholinesterase inhibitor. It is used to improve muscle tone in people with myasthenia gravis and routinely in anesthesia to reverse the effects of non-depolarizing muscle relaxants such as rocuronium and vecuronium at the end of an operation, usually in a dose of 25 to 50 μg per kilogram. It can also be used for urinary retention resulting from general anesthesia and to treat curariform drug toxicity.

UsesNeostigmine iodide is a reversible acetylcholinesterase inhibitor with muscle tone-enhancing activity. Neostigmine iodide is primarily used to improve muscle function in patients with myasthenia gravis. Neostigmine iodide is also used in routine anesthesia to reverse the effects of nondepolarizing muscle relaxants such as rocuronium[1].

Suppliers4 total

BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
1212-37-9
PubChem CID
14596
DTXSID
DTXSID30923713