Pantenicate (CHEM137015)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:22:17 UTC | ||||||||
| Update Date | 2026-05-14 20:33:36 UTC | ||||||||
| Accession Number | CHEM137015 | ||||||||
| Identification | |||||||||
| Common Name | Pantenicate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C62H78N8O20S2 | ||||||||
| Average Molecular Mass | 1319.460 g/mol | ||||||||
| Monoisotopic Mass | 1318.477 g/mol | ||||||||
| CAS Registry Number | 96922-80-4 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(COC(=O)CCC(=O)OCC1=CN=CC=C1)[C@@H](OC(=O)CCC(=O)OCC1=CN=CC=C1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)CCC(=O)OCC1=CN=CC=C1)C(C)(C)COC(=O)CCC(=O)OCC1=CC=CN=C1 | ||||||||
| InChI Identifier | InChI=1S/C62H78N8O20S2/c1-61(2,41-87-53(77)15-13-49(73)83-37-43-9-5-23-63-33-43)57(89-55(79)19-17-51(75)85-39-45-11-7-25-65-35-45)59(81)69-27-21-47(71)67-29-31-91-92-32-30-68-48(72)22-28-70-60(82)58(90-56(80)20-18-52(76)86-40-46-12-8-26-66-36-46)62(3,4)42-88-54(78)16-14-50(74)84-38-44-10-6-24-64-34-44/h5-12,23-26,33-36,57-58H,13-22,27-32,37-42H2,1-4H3,(H,67,71)(H,68,72)(H,69,81)(H,70,82)/t57-,58-/m0/s1 | ||||||||
| InChI Key | PCGCUXHCEFYPOT-YQOHNZFASA-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 | ||||||||
