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:756818 - pr-104
| Formula | C14H20BrN4O12PS |
| Net Charge | 0 |
| Average Mass | 579.275 |
| Monoisotopic Mass | 577.97194 |
| SMILES | CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChI | InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27) |
| InChIKey | GZSOKPMDWVRVMG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pr-104 (CHEBI:756818) has role antineoplastic agent (CHEBI:35610) |
| pr-104 (CHEBI:756818) is a nitroaniline (CHEBI:25550) |
| Synonyms | Source |
|---|---|
| Pr 104 | ChEMBL |
| Pr-104 | ChEMBL |