6,13-dichloro-2,10-bis[4-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-3,11-disulfonic acid (CHEM353662)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 05:03:38 UTC | ||||||||
| Update Date | 2026-09-01 05:03:38 UTC | ||||||||
| Accession Number | CHEM353662 | ||||||||
| Identification | |||||||||
| Common Name | 6,13-dichloro-2,10-bis[4-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfoanilino]-[1,4]benzoxazino[2,3-b]phenoxazine-3,11-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C48H32Cl4N14O26P2S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1613.817 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC(=C1)P(=O)(O)O)NC2=NC(=NC(=N2)Cl)NC3=C(C=C(C(=C3)S(=O)(=O)O)NC4=C(C5=C(C=C4)N=C6C(=C(C7=NC8=CC(=C(C=C8OC7=C6Cl)S(=O)(=O)O)NC9=CC(=C(C=C9S(=O)(=O)O)NC1=NC(=NC(=N1)NC1=CC(=CC=C1)P(=O)(O)O)Cl)S(=O)(=O)O)Cl)O5)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C48H32Cl4N14O26P2S6/c49-35-38-41(92-39-21(57-38)7-8-22(42(39)100(88,89)90)55-25-12-32(97(79,80)81)27(14-30(25)95(73,74)75)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(9-17)93(67,68)69)36(50)37-40(35)91-29-16-34(99(85,86)87)24(11-23(29)58-37)56-26-13-33(98(82,83)84)28(15-31(26)96(76,77)78)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(10-18)94(70,71)72/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66) | ||||||||
| InChI Key | NUYPELOUSXRAIT-UHFFFAOYSA-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 | |||||||||
| 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 | ||||||||
