Wikidata entity: Q82393823
C₃₂H₄₀BrN₅O₅ (P274)
Quantities
| P2067 | mass | 653.2212814800001 |
| P233 | canonical SMILES | String | CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12 | ??? |
| P31 | instance of | ... | Q113145171 (type of chemical entity) | type of chemical entity |
| P2017 | isomeric SMILES | String | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O | ??? |
| P3364 | stereoisomer of | ... | Q413581 (bromocriptine) | bromocriptine |
| P3364 | stereoisomer of | ... | Q27166519 (LSM-5805) | LSM-5805 |
| P279 | subclass of | ... | Q27163679 (LSM-1817) | LSM-1817 |
| P231 | CAS Registry Number | 65700-36-9 |
| P8494 | DSSTOX compound identifier | DTXCID70476677 |
| P3117 | DSSTox substance ID | DTXSID30525872 |
| P234 | InChI | InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23+,24-,25-,31+,32-/m0/s1 |
| P235 | InChIKey | OZVBMTJYIDMWIL-SHUSXKRSSA-N |
| P662 | PubChem CID | 13187203 |
| P11089 | UniChem compound ID | 23091275 |
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