Basic information
- CAS
54484-90-1- Standard SMILES
CC[N+]([O-])(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12- InChIKey
CVOBONSFYKLOBD-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.15076381
Names & identifiers
- Preferred name
- Hycanthone N-oxide
- IUPAC
- N,N-diethyl-2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethanamine oxide
- English name
- N'-[4-(Hydroxymethyl)-9-oxo-9H-thioxanthen-1-yl]-N,N-diethylethane-1,2-diamine N-oxide
- Molecular formula
- C20H24N2O3S
- Molecular weight
- 372.48
Names & synonyms
Hycanthone N-oxideHycanthone-N-oxide54484-90-1UN27UR2Q9CDTXSID40202889WIN 29329WIN-293291-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one N-oxideThioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, N-oxideRefChem:146971DTXCID20125380UNII-UN27UR2Q9C
Show more names
Hycanthone oxide9H-Thioxanthen-9-one, 1-[[2-(diethyloxidoamino)ethyl]amino]-4-(hydroxymethyl)-N'-[4-(Hydroxymethyl)-9-oxo-9H-thioxanthen-1-yl]-N,N-diethylethane-1,2-diamine N-oxide
DB-326951N,N-Diethyl-2-{[4-(hydroxymethyl)-9-oxo-9H-thioxanthen-1-yl]amino}ethan-1-amine N-oxideN'-[4-(HYDROXYMETHYL)-9-OXO-9H-THIOXANTHEN-1-YL ]-N,N-DIETHYLETHANE-1,2-DIAMINE N-OXIDE
Database identifiers
- CAS
54484-90-1- PubChem CID
- 149754
- DTXSID
DTXSID40202889- UNII
- UN27UR2Q9C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- pka
- 14.022 · 14.022±0.10(predicted)
- FDA UNII
- 27 UR2Q9C · UN27UR2Q9C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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