Paclitaxel ceribate (CHEM134544)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 21:19:50 UTC | ||||||||
| Update Date | 2026-05-14 20:02:47 UTC | ||||||||
| Accession Number | CHEM134544 | ||||||||
| Identification | |||||||||
| Common Name | Paclitaxel ceribate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C51H57NO18 | ||||||||
| Average Molecular Mass | 972.006 g/mol | ||||||||
| Monoisotopic Mass | 971.358 g/mol | ||||||||
| CAS Registry Number | 186040-50-6 | ||||||||
| IUPAC Name | (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-9-{[(2,3-dihydroxypropoxy)carbonyl]oxy}-1-hydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12C[C@H](OC(=O)OCC(O)CO)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C51H57NO18/c1-27-34(67-46(61)39(57)38(30-16-10-7-11-17-30)52-44(59)31-18-12-8-13-19-31)23-51(63)43(69-45(60)32-20-14-9-15-21-32)41-49(6,42(58)40(66-28(2)54)37(27)48(51,4)5)35(68-47(62)64-25-33(56)24-53)22-36-50(41,26-65-36)70-29(3)55/h7-21,33-36,38-41,43,53,56-57,63H,22-26H2,1-6H3,(H,52,59)/t33?,34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1 | ||||||||
| InChI Key | HSUDWURBWSUCOB-JPHWUADUSA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
