Fluciclatide (CHEM132570)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 19:57:45 UTC | ||||||||
| Update Date | 2026-05-14 19:45:34 UTC | ||||||||
| Accession Number | CHEM132570 | ||||||||
| Identification | |||||||||
| Common Name | Fluciclatide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C75H115FN18O27S3 | ||||||||
| Average Molecular Mass | 1816.020 g/mol | ||||||||
| Monoisotopic Mass | 1814.733 g/mol | ||||||||
| CAS Registry Number | 879894-00-5 | ||||||||
| IUPAC Name | 2-[(1R,4S,10R,13S,16R,19S,25S)-13-benzyl-25-(3-carbamimidamidopropyl)-10-({2-[2-(2-{2-[2-(carbamoylmethoxy)acetamido]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)-4-{4-[2-({[17-(2-{[(E)-[(4-fluorophenyl)methylidene]amino]oxy}acetamido)-3,6,9,12,15-pentaoxaheptadecan-1-yl]carbamoyl}methoxy)acetamido]butyl}-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octaazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CO\N=C\C2=CC=C(F)C=C2)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1 | ||||||||
| InChI Identifier | InChI=1S/C75H115FN18O27S3/c76-52-13-11-51(12-14-52)39-87-121-45-65(100)83-19-23-113-27-31-117-34-36-118-35-33-116-30-26-112-22-18-82-64(99)44-120-43-62(97)80-15-5-4-9-54-70(106)93-58-47-123-124-48-59(94-72(108)56(38-67(102)103)89-61(96)40-86-68(104)53(90-73(58)109)10-6-16-85-75(78)79)74(110)91-55(37-50-7-2-1-3-8-50)71(107)92-57(46-122-49-66(101)88-54)69(105)84-20-24-114-28-32-115-29-25-111-21-17-81-63(98)42-119-41-60(77)95/h1-3,7-8,11-14,39,53-59H,4-6,9-10,15-38,40-49H2,(H2,77,95)(H,80,97)(H,81,98)(H,82,99)(H,83,100)(H,84,105)(H,86,104)(H,88,101)(H,89,96)(H,90,109)(H,91,110)(H,92,107)(H,93,106)(H,94,108)(H,102,103)(H4,78,79,85)/b87-39+/t53-,54-,55-,56?,57-,58-,59-/m0/s1 | ||||||||
| InChI Key | VXFFXZSNVKXXIB-XVUFQIMXSA-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 | ||||||||
