Anidoxime
Basic information
- CAS
34297-34-2- Standard SMILES
CCN(CC)CCC(=NOC(=O)Nc1ccc(OC)cc1)c1ccccc1- InChIKey
XPHBRTNHVJSEQD-UHFFFAOYSA-N- Molecular formula
- C21H27N3O3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.20524173
Overview
RN given refers to parent cpd; structure given in second source
Names & identifiers
- Preferred name
- Anidoxime
- IUPAC
- [[3-(diethylamino)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
- English name
- Anidoxime
- Molecular formula
- C21H27N3O3
- Molecular weight
- 369.46
Names & synonyms
ANIDOXIMEAnidoxima34297-34-2AnidoximumAndioxime88ETS2Q7LZ4-MPC-3-DAPOO-(4-Methoxyphenylcarboxyl)-3-diethylaminiopropiophenone oximeRefChem:112799O-(4-methoxyphenylcarbamoyl)-3-diethylaminopropiophenone oxime[[3-(diethylamino)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate3-(Diethylamino)propiophenone O-((p-methoxyphenyl)carbamoyl)oxime
Show more names
β-(Diethylamino)propiophenone O-[(4-methoxyphenyl)carbamoyl]oxime1-Propanone, 3-(diethylamino)-1-phenyl-, O-[[(4-methoxyphenyl)amino]carbonyl]oxime
[(Z)-[3-(diethylamino)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamateBamoxin1-Propanone, 3-(diethylamino)-1-phenyl-, O-(((4-methoxyphenyl)amino)carbonyl)oximeAnidoximum [INN-Latin]Anidoxima [INN-Spanish]UNII-88ETS2Q7LZAnidoxime [USAN:INN:BAN]BRL 11870
Database identifiers
- CAS
34297-34-2- PubChem CID
- 35884
- DTXSID
DTXSID40865711- ChEMBL
CHEMBL2104013- UNII
- 88ETS2Q7LZ
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Density
- 1.082 · 1.082±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.158 · 12.158±0.70(predicted)
- FDA UNII
- 88 ETS2Q7LZ · 88ETS2Q7LZ
Chemistry & industry
Applications
UsesAnalgesic.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…