(1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-dimethyl-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium diiodide
(1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-dimethyl-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium diiodide
| SMILES | C[N+]12CCC3C4C5C(CC31)C(=CCOC5N1c3ccccc3C35CC[N+]6(C)CC7=CCOC(C(C7CC36)C15)N4c1ccccc1)C2.[I-].[I-] |
| InChIKey | VJSCAPXAYUYCDD-UHFFFAOYSA-L |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 870.2 |
Database connections
No bioactivity data available.
(1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-dimethyl-24-phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene-15,31-diium diiodide
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV