Barixibat (CHEM137389)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:53:24 UTC | ||||||||
| Update Date | 2026-08-22 14:23:28 UTC | ||||||||
| Accession Number | CHEM137389 | ||||||||
| Identification | |||||||||
| Common Name | Barixibat | ||||||||
| Class | Small Molecule | ||||||||
| Description | Barixibat belongs to the linear 1,3-diarylpropanoids, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C42H55N5O8. With an average molecular weight of 757.93 g/mol, Barixibat is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H55N5O8 | ||||||||
| Average Molecular Mass | 757.929 g/mol | ||||||||
| Monoisotopic Mass | 757.405 g/mol | ||||||||
| CAS Registry Number | 263562-28-3 | ||||||||
| IUPAC Name | N-[2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]-11-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]undecanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCCC(=O)NC1=C(C=CC=C1)[C@@H](NC1=NC=CC=C1)[C@@H]([C@H](O)C1=CC=CC=C1)C1=NC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C42H55N5O8/c48-28-33(49)39(52)40(53)41(54)42(55)45-27-15-6-4-2-1-3-5-10-24-35(50)46-31-21-12-11-20-30(31)37(47-34-23-14-17-26-44-34)36(32-22-13-16-25-43-32)38(51)29-18-8-7-9-19-29/h7-9,11-14,16-23,25-26,33,36-41,48-49,51-54H,1-6,10,15,24,27-28H2,(H,44,47)(H,45,55)(H,46,50)/t33-,36+,37-,38-,39-,40+,41-/m1/s1 | ||||||||
| InChI Key | LNLNLJFTSXTELN-TVKRVUGASA-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 | ||||||||
