Emetonium iodide
Basic information
- CAS
5982-52-5- Standard SMILES
CC[N+](C)(CC)CCOC(c1ccccc1)c1ccccc1.[I-]- InChIKey
HKOZYKMXXBHEHT-UHFFFAOYSA-M- Molecular formula
- C20H28INO
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 425.12156
Names & identifiers
- Preferred name
- Emetonium iodide
- IUPAC
- 2-benzhydryloxyethyl-diethyl-methylazanium iodide
- English name
- [2-(diphenylmethoxy)ethyl]diethylmethylammonium iodide
- Molecular formula
- C20H28INO
- Molecular weight
- 425.34689
Names & synonyms
Metropinemetonium iodideEsyntinEthylbenzhydramine methyl iodideMetropin (R)5982-52-5EINECS 227-792-2CW3OT0Y51W(2-benzhydryloxyethyl)diethyl-methylammonium iodide(2-(Diphenylmethoxy)ethyl)diethylmethylammonium iodideDiethyl(2-(diphenylmethoxy)ethyl)methylammonium iodideAmmonium, diethyl(2-(diphenylmethoxy)ethyl)methyl-, iodide
Show more names
beta-(Diphenylmethoxy)-ethyl-methyl-diethyl-ammonium iodideEthanaminium, 2-(diphenylmethoxy)-N,N-diethyl-N-methyl-, iodideEMETONIUM IODIDE [WHO-DD][2-(DIPHENYLMETHOXY)ETHYL]DIETHYLMETHYLAMMONIUM IODIDEETHYLBENZHYDRAMINE METHYL IODIDE [MI](2-(diphenylmethoxy)ethyl)diethylmethylazanium iodide[2-(diphenylmethoxy)ethyl]diethylmethylazanium iodideRefChem:590751
Database identifiers
- CAS
5982-52-5- PubChem CID
- 80084
- DTXSID
DTXSID70975216- ChEMBL
CHEMBL3707204- UNII
- CW3OT0Y51W
- EC Number
- 227-792-2
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- FDA UNII
- 3 OT0Y51W · CW3OT0Y51W
- ATC code
- 3 AB16 · A03AB16
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
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Related reactions
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Compound notes
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