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Diquafosol Tetrasodium

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Basic information
Standard English name
Cas No. 211427-08-6
Alias Diquafosol
Canonical Smiles [NaH].OP(=O)(OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)OP(O)(=O)OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
MDL No. MFCD18071356
Exact Mass 813.99143
Smiles O=C1C=CN([C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(O)(OP(O)(OP(O)(OP(O)(OC[C@H]3O[C@@H]([C@@H]([C@@H]3O)O)N4C=CC(NC4=O)=O)=O)=O)=O)=O)C(N1)=O.[NaH]
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Character
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Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS02
Hazard Category H315;H319;H228
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P240;P210;P241;P264;P280;P302+P352;P370+P378;P337+P313;P305+P351+P338;P362+P364;P332+P313
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HS Code
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Useage
Inchi InChI=1S/C18H26N4O23P4.Na.H/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;/t7-,8-,11-,12-,13-,14-,15-,16+;;/m1../s1
InchiKey XPZQVLUPTGTIJP-VRSWTMHQSA-N
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