Basic Information |
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Product Name: | PYRVINIUM PAMOATE |
CAS: | 3546-41-6 |
English Synonyms: | PYRVINIUM PAMOATE |
MDL Number.: | MFCD00010090 |
H bond acceptor: | 6 |
H bond donor: | 2 |
Smile: | Cc1cc(c(n1c2ccccc2)C)/C=C/c3ccc4cc(ccc4[n+]3C)N(C)C.Cc1cc(c(n1c2ccccc2)C)/C=C/c3ccc4cc(ccc4[n+]3C)N(C)C.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)[O-])O)C(=O)[O-] |
InChi: | InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2 |
InChiKey: | InChIKey=OOPDAHSJBRZRPH-UHFFFAOYSA-L |
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