Basic information
- CAS
86456-22-6- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc3oc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1- InChIKey
SEVKFSGZVZFIMA-UHFFFAOYSA-N- Molecular formula
- C25H26N2O6S
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.15115773
Names & identifiers
- Preferred name
- 8-((2-(Dimethylamino)ethyl)amino)-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate
- IUPAC
- [8-[2-(dimethylamino)ethylamino]-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate
- English name
- 8-((2-(diMethylaMino)ethyl)aMino)-5-(hydroxyMethyl)-9-oxo-9H-xanthen-2-yl 4-Methylbenzenesulfonate
- Molecular formula
- C25H26N2O6S
- Molecular weight
- 482.54874
Names & synonyms
86456-22-68-((2-(Dimethylamino)ethyl)amino)-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonateNSC354677NSC 354677XNT [PMID: 18391097]9H-Xanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-XNT9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-GTPL7867SCHEMBL2558304DTXSID70235569GLXC-03425
Show more names
LDA45622NSC-354677[8-(2-dimethylaminoethylamino)-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonateQ27089254[8-(2-dimethylaminoethylamino)-5-(hydroxymethyl)-9-oxo-xanthen-2-yl] 4-methylbenzenesulfonate[8-[2-(dimethylamino)ethylamino]-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-9h-xanthen-9-one8-((2-(Dimethylamino)ethyl)amino)-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl4-methylbenzenesulfonate
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
Chemistry & industry
Suppliers3 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…