Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)-
Basic information
- CAS
16140-28-6- Standard SMILES
CC1CCCCN1CCNc1ccc(CO)c2sc3ccccc3c(=O)c12- InChIKey
PVZAIFPRJDURMZ-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.17149925
Names & identifiers
- Preferred name
- Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)-
- IUPAC
- 4-(hydroxymethyl)-1-[2-(2-methylpiperidin-1-yl)ethylamino]thioxanthen-9-one
Names & synonyms
SW 716140-28-6Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methylpiperidino)ethyl)amino)-NSC1663654-(Hydroxymethyl)-1-((2-(2-methyl-1-piperidinyl)ethyl)amino)-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(2-methyl-1-piperidinyl)ethyl)amino)-4-(HYDROXYMETHYL)-1-{[2-(2-METHYLPIPERIDIN-1-YL)ETHYL]AMINO}-9H-THIOXANTHEN-9-ONE9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(2-methyl-1-piperidinyl)ethyl]amino]-NSC 166365BRN 14059564-(Hydroxymethyl)-1-[[2-(2-methyl-1-piperidinyl)ethyl]amino]-9H-thioxanthen-9-oneThioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(2-methylpiperidino)ethyl]amino]-
Show more names
5-20-04-00091 (Beilstein Handbook Reference)DTXSID101132839NSC-1663654-(hydroxymethyl)-1-[2-(2-methyl-1-piperidyl)ethylamino]thioxanthen-9-one9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[2-(2-methyl-1-piperidinyl)ethyl]amino]-
Database identifiers
- CAS
16140-28-6- PubChem CID
- 72712
- DTXSID
DTXSID101132839
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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