Basic Information |
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| Product Name: | DISODIUM 2,2'-(1,2-ETHENEDIYL)BIS[5-([4-[(3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO]-6-ANILINO-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE] |
| CAS: | 27344-06-5 |
| English Synonyms: | DISODIUM 4,4'-BIS[[4-ANILINO-6-[(2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULPHONATE ; DISODIUM 2,2'-(1,2-ETHENEDIYL)BIS[5-([4-[(3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO]-6-ANILINO-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE] |
| MDL Number.: | MFCD23142717 |
| H bond acceptor: | 24 |
| H bond donor: | 8 |
| Smile: | c1ccc(cc1)Nc2nc(nc(n2)N(CCC(=O)N)CCO)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCC(=O)N)CCO)Nc6ccccc6.[Na+].[Na+] |
| InChi: | InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/b12-11+;; |
| InChiKey: | InChIKey=KXZDXBWYWMOFCR-YHPRVSEPSA-L |
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