Vemtoberant (CHEM137648)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 18:13:43 UTC | ||||||||
| Update Date | 2026-05-14 20:48:29 UTC | ||||||||
| Accession Number | CHEM137648 | ||||||||
| Identification | |||||||||
| Common Name | Vemtoberant | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H37N3O8S2 | ||||||||
| Average Molecular Mass | 619.750 g/mol | ||||||||
| Monoisotopic Mass | 619.202 g/mol | ||||||||
| CAS Registry Number | 2169905-68-2 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN1C=C(C(=O)C2=CC=CC=C12)S(=O)(=O)N1CCC2(C[C@H](CO2)NC[C@H](O)COC2=CC(=CC=C2)S(C)(=O)=O)CC1 | ||||||||
| InChI Identifier | InChI=1S/C29H37N3O8S2/c1-3-31-18-27(28(34)25-9-4-5-10-26(25)31)42(37,38)32-13-11-29(12-14-32)16-21(19-40-29)30-17-22(33)20-39-23-7-6-8-24(15-23)41(2,35)36/h4-10,15,18,21-22,30,33H,3,11-14,16-17,19-20H2,1-2H3/t21-,22+/m1/s1 | ||||||||
| InChI Key | PVXLIOIISUUKOQ-YADHBBJMSA-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 | ||||||||
