Odalasvir (CHEM131805)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 19:16:01 UTC | ||||||||
| Update Date | 2026-05-14 19:29:06 UTC | ||||||||
| Accession Number | CHEM131805 | ||||||||
| Identification | |||||||||
| Common Name | Odalasvir | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C60H72N8O6 | ||||||||
| Average Molecular Mass | 1001.286 g/mol | ||||||||
| Monoisotopic Mass | 1000.557 g/mol | ||||||||
| CAS Registry Number | 1415119-52-6 | ||||||||
| IUPAC Name | methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-(14-{2-[(2S,3aS,7aS)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-octahydro-1H-indol-2-yl]-1H-1,3-benzodiazol-6-yl}tricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl)-1H-1,3-benzodiazol-2-yl]-octahydro-1H-indol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C1=NC2=CC=C(C=C2N1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)C1=CC=C2N=C(NC2=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OC)C(C)C | ||||||||
| InChI Identifier | InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1 | ||||||||
| InChI Key | LSYBRGMTRKJATA-IVEWBXRVSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
