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Bucladesine calcium salt

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Standard English name
Cas No. 938448-87-4
Alias Dibutyryl adenosine cyclophosphate calcium
Canonical Smiles [Ca].CCCC(=O)NC1N=CN=C2C=1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC.CCCC(=O)NC1N=CN=C2C=1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC
MDL No. MFCD13152130
Exact Mass 978.23509
Smiles CCCC(NC1=C2C(N([C@H]3[C@H](OC(CCC)=O)[C@H]4[C@@H](COP(O4)(O)=O)O3)C=N2)=NC=N1)=O.CCCC(NC5=C6C(N([C@H]7[C@H](OC(CCC)=O)[C@H]8[C@@H](COP(O8)(O)=O)O7)C=N6)=NC=N5)=O.[Ca]
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Inchi InChI=1S/2C18H24N5O8P.Ca/c2*1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h2*8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/t2*10-,14-,15-,18-;/m11./s1
InchiKey DRYMTGFYEAYJQR-NGVPHMJWSA-N
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