Wikidata entity: Q27114313
C₂₈H₃₁BrN₂O₂ (P274)
Quantities
| P2067 | mass | 506.15689 |
| P3780 | active ingredient in | ... | Q29005788 (Emselex) | Emselex |
| P233 | canonical SMILES | String | C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br | ??? |
| P31 | instance of | ... | Q113145171 (type of chemical entity) | type of chemical entity |
| P2017 | isomeric SMILES | String | C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br | ??? |
| P129 | physically interacts with | ... | Q4847910 (Cholinergic receptor muscarinic 2) | Cholinergic receptor muscarinic 2 |
| P279 | subclass of | ... | Q11173 (chemical compound) | chemical compound |
| P231 | CAS Registry Number | 133099-07-7 |
| P683 | ChEBI ID | 31455 |
| P592 | ChEMBL ID | CHEMBL1200935 |
| P661 | ChemSpider ID | 392053 |
| P715 | DrugBank ID | DBSALT001041 |
| P8494 | DSSTOX compound identifier | DTXCID7026780 |
| P3117 | DSSTox substance ID | DTXSID9046780 |
| P232 | EC number | 603-705-7 |
| P2566 | ECHA Substance Infocard ID | 100.116.745 |
| P234 | InChI | InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1 |
| P235 | InChIKey | UQAVIASOPREUIT-VQIWEWKSSA-N |
| P665 | KEGG ID | D01699 |
| P11199 | Probes And Drugs ID | PD010775 |
| P662 | PubChem CID | 444030 |
| P662 | PubChem CID | 59800324 |
| P662 | PubChem CID | 60208591 |
| P1579 | Reaxys registry number | 10225902 |
| P3345 | RxNorm CUI | 485417 |
| P4964 | SPLASH | splash10-004i-0300900000-fc5049d1881559913fe9 |
| P2877 | SureChEMBL ID | 453486 |
| P652 | UNII | CR02EYQ8GV |
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