Atilmotin (CHEM136806)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:05:13 UTC | ||||||||
| Update Date | 2026-05-14 20:21:05 UTC | ||||||||
| Accession Number | CHEM136806 | ||||||||
| Identification | |||||||||
| Common Name | Atilmotin | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C86H134N20O19 | ||||||||
| Average Molecular Mass | 1752.139 g/mol | ||||||||
| Monoisotopic Mass | 1751.013 g/mol | ||||||||
| CAS Registry Number | 533927-56-9 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@]([H])(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)[N+](C)(C)C)C(C)C)[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)N[C@@H](CCC([O-])=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | ||||||||
| InChI Identifier | InChI=1S/C86H134N20O19/c1-13-51(8)71(103-81(121)65-30-23-41-105(65)85(125)70(50(6)7)102-82(122)66(106(10,11)12)46-54-26-18-15-19-27-54)83(123)101-64(44-53-24-16-14-17-25-53)80(120)104-72(52(9)107)84(124)100-63(45-55-31-33-56(108)34-32-55)74(114)93-47-68(110)94-59(36-38-69(111)112)76(116)99-62(43-49(4)5)79(119)97-60(35-37-67(88)109)77(117)96-58(29-22-40-92-86(90)91)75(115)98-61(42-48(2)3)78(118)95-57(73(89)113)28-20-21-39-87/h14-19,24-27,31-34,48-52,57-66,70-72,107H,13,20-23,28-30,35-47,87H2,1-12H3,(H21-,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124)/t51-,52+,57-,58+,59-,60-,61-,62-,63-,64-,65+,66-,70-,71+,72+/m0/s1 | ||||||||
| InChI Key | DUQRILZXKXSRIY-RUBJUKRASA-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 | ||||||||
