EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:751595 - encaleret sulfate
| Formula | C29H33ClFNO4.C29H33ClFNO4.H2O4S.H2O |
| Net Charge | 0 |
| Average Mass | 1144.168 |
| Monoisotopic Mass | 1142.39437 |
| SMILES | Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O.Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O.O.O=S(=O)(O)O |
| InChI | InChI=1S/2C29H33ClFNO4.H2O4S.H2O/c2*1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20;1-5(2,3)4;/h2*5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35);(H2,1,2,3,4);1H2/t2*19-,22-;;/m11../s1 |
| InChIKey | NOJBHZIZNPMQRT-CBASKZFISA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. central nervous system stimulant Any drug that enhances the activity of the central nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| encaleret sulfate (CHEBI:751595) has role bone density conservation agent (CHEBI:50646) |
| encaleret sulfate (CHEBI:751595) is a amphetamines (CHEBI:35338) |
| Synonyms | Source |
|---|---|
| Encaleret sulfate | ChEMBL |
| Jit-305 | ChEMBL |
| MK-5442 | ChEMBL |
| MK5442 | ChEMBL |