9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, monomethanesulfonate (salt)
Basic information
- CAS
23255-93-8- Standard SMILES
CC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12.CS(=O)(=O)[O-]- InChIKey
LOEQGPPJCCUXEJ-UHFFFAOYSA-N- Molecular formula
- C21H28N2O5S2
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.14396435
Overview
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Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, monomethanesulfonate (salt)
- IUPAC
- diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium;methanesulfonate
Names & synonyms
CCRIS 333UNII-48830NW22AHSDB 7094Hycanthone methanesulfonate (VAN)EINECS 245-527-9AI3-61987DTXSID40254089H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, monomethanesulfonate (salt)N-(2-(Diethylamino)ethyl)-4-methoxy-9-oxoxanthene-1-amine monomethanesulphonateN,N-Diethyl-2-{[4-(hydroxymethyl)-9-oxo-9H-thioxanthen-1-yl]amino}ethan-1-aminium methanesulfonate
Database identifiers
- CAS
23255-93-8- PubChem CID
- 31764
- DTXSID
DTXSID4025408
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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