Compound Summary
nor-Binaltorphimine dihydrochloride
Compound Information
nor-Binaltorphimine dihydrochloride
Compound Name: | nor-Binaltorphimine dihydrochloride |
Compound CID: | 11957626 |
Synonyms: | nor-Binaltorphimine dihydrochloride 113158-34-2 nor-BNI dihydrochloride UNII-Y8WNP37PIV Y8WNP37PIV More... |
Iupac Name: | (1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol;dihydrochloride |
InChI: | InChI=1S/C40H43N3O6.2ClH/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19;;/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2;2*1H/t27-,28-,35+,36+,37+,38+,39-,40-;;/m1../s1 |
InChIKey: | JOJPJLHRMGPDPV-LZQROVCBSA-N |
Canonical Smiles: | C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1.Cl.Cl |
Isomeric Smiles: | C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1.Cl.Cl |
Molecular Weight: | 734.7 |
Molecular Formula: | C40H45Cl2N3O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
nor-Binaltorphimine dihydrochloride
Molecular Weight: | 734.7 |
Molecular Formula: | C40H45Cl2N3O6 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 51 |
Complexity: | 1340 |
Synonyms
nor-Binaltorphimine dihydrochloride
| nor-Binaltorphimine dihydrochloride | nor-Binaltorphimine dihydrochloride |
|---|---|
nor-Binaltorphimine dihydrochloride |
113158-34-2 |
nor-BNI dihydrochloride |
UNII-Y8WNP37PIV |
Y8WNP37PIV |
105618-26-6 |
Norbinaltorphimine dihydrochloride |
NorbinaltorphimineDihydrochlorideSalt |
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol;dihydrochloride |
EU-0100806 |
CHEMBL2374078 |
DTXSID501018083 |
Tox21_500806 |
MFCD00069374 |
AKOS024457633 |
LP00806 |
N-Demethylbinaltorphimine dihydrochloride |
NCGC00094139-01 |
NCGC00261491-01 |
nor-Binaltorphimine dihydrochloride, solid |
HY-100903 |
CS-0020573 |
N 1771 |
SR-01000075482 |
SR-01000597959 |
J-001459 |
SR-01000075482-1 |
SR-01000597959-1 |
17,17-(Dicyclopropylmethyl)-6,6,7,7-6,6-imino- 7,7-binorphinan-3,4,14,14-tetrol dihydrochloride" |
4,8:11,15-Dimethano-20H-bisbenzofuro2,3-a:3,2-idipyrido4,3-b:3,4-hcarbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-,(4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-" |
Experimental Data
nor-Binaltorphimine dihydrochloride
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
nor-Binaltorphimine dihydrochloride
Statistics Data
nor-Binaltorphimine dihydrochloride
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.000000000000000 | 1 | 1 |
Statistics Data Visualization
nor-Binaltorphimine dihydrochloride
