Basic information
- CAS
17692-63-6- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1cccs1.[Br-]- InChIKey
QTBFZNSOXHKZOD-UHFFFAOYSA-M- Molecular formula
- C19H26BrNO3S
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 427.08168
Names & identifiers
- Preferred name
- Ethanaminium, N,N-diethyl-2-((2-hydroxy-2-phenyl-2-(2-thienyl)acetyl)oxy)-N-methyl-, bromide (1:1)
- IUPAC
- diethyl-[2-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)oxyethyl]-methylazanium bromide
- English name
- oxitefonium bromide
- Molecular formula
- C19H26BrNO3S
- Molecular weight
- 428.38364
Names & synonyms
Oxitefonium BromideNibitor17692-63-6Bromure d'oxitefoniumBromuro de oxitefonioOxitefonii bromidum75L83V3XCFDiethyl(2-hydroxyethyl)methylammonium bromide alpha-phenyl-2-thiopheneglycolateETHANAMINIUM, N,N-DIETHYL-2-((2-HYDROXY-2-PHENYL-2-(2-THIENYL)ACETYL)OXY)-N-METHYL-, BROMIDE (1:1)oxitAfonium (cation)RefChem:168955241-688-4
Show more names
F-70Oxitefonium
Oxitefonium bromide [INN]diethyl-[2-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)oxyethyl]-methylazanium;bromideBromure d-oxitefonium [French]Oxitefonii bromidum [INN-Latin]Bromure d'oxitefonium [INN-French]EINECS 241-688-4Bromuro de oxitefonio [INN-Spanish]Bromure d-oxitefonium
Database identifiers
- CAS
17692-63-6- PubChem CID
- 71891
- DTXSID
DTXSID60938875- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- FDA UNII
- 75 L83V3XCF · 75L83V3XCF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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