Binaltorphimine (original) (raw)
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Chemical compound
Binaltorphimine
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|---|---|
| Clinical data | |
| ATC code | None |
| Identifiers | |
| IUPAC name (1_S_,2_S_,7_S_,8_R_,12_S_,20_R_,24_R_,32_R_)-11,33-bis(cyclopropylmethyl)-22-methyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,29-octaene-2,7,17,27-tetrol | |
| CAS Number | 105618-27-7  Y |
| PubChem CID | 5484197 |
| ChemSpider | 24673307 |
| UNII | 94L0JAS27S |
| ChEMBL | ChEMBL610001 |
| CompTox Dashboard (EPA) | DTXSID90909634  |
| Chemical and physical data | |
| Formula | C41H45N3O6 |
| Molar mass | 675.826 g·mol−1 |
| 3D model (JSmol) | Interactive image |
| SMILES CN1C2=C(C[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)C8=C1[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1 | |
| InChI InChI=1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29-,36+,37+,38+,39+,40-,41-/m1/s1Key:DKIVQMBUHVYDFC-IWRYZOJTSA-N |
Binaltorphimine (BNI) is a selective antagonist of the κ-opioid receptor (KOR).[1] BNI and norbinaltorphimine (nor-BNI) were the first highly selective KOR antagonists to be discovered.[1]