Basic information
- CAS
54063-37-5- Standard SMILES
CCC(=NO)c1cn(CCN(C)C)c2ccccc12- InChIKey
PNWRDBWQKOXCMK-UHFFFAOYSA-N- Molecular formula
- C15H21N3O
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.1684623
Names & identifiers
- Preferred name
- Etoprindole
- IUPAC
- N-[1-[1-[2-(dimethylamino)ethyl]indol-3-yl]propylidene]hydroxylamine
- English name
- Etoprindole
- Molecular formula
- C15H21N3O
- Molecular weight
- 259.35
Names & synonyms
Etoprindole54063-37-5Etoprindole [INN:DCF]UNII-LBU97HVE51LBU97HVE51ETOPRINDOLE [INN]1-(2-(Dimethylamino)ethyl)indol-3-yl ethyl ketone oximeetoprindoletoprindolumRefChem:139284N-[1-[1-[2-(dimethylamino)ethyl]indol-3-yl]propylidene]hydroxylamineDTXSID301023890
Show more names
1-[1-[2-(Dimethylamino)ethyl]-1H-indol-3-yl]-1-propanone oxime1-Propanone, 1-[1-[2-(dimethylamino)ethyl]-1H-indol-3-yl]-, oxime
Q27282905
Database identifiers
- CAS
54063-37-5- PubChem CID
- 208945
- DTXSID
DTXSID301023890- ChEMBL
CHEMBL3989876- UNII
- LBU97HVE51
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 428 · 428.0±25.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.31(Predicted)
- FDA UNII
- 97 HVE51 · LBU97HVE51
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…