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cGAMP disodium salt

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Standard English name
Cas No. 849214-04-6
Alias 2-amino-9-((2R,3R,3aS,7aR,9R,10R,10aS,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecin-2-yl)-1,9-dihydro-6H-purin-6-one
Canonical Smiles NC1N=CN=C2C=1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)N1C=NC2=C1N=C(N)NC2=O
MDL No. MFCD28411367
Exact Mass 674.09995
Smiles O=C1NC(N)=NC2=C1N=CN2[C@H](O3)[C@H](O)[C@H](OP(OC[C@@H]4[C@@H](O5)[C@@H](O)[C@H](N6C=NC7=C(N)N=CN=C76)O4)(O)=O)[C@H]3COP5(O)=O
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Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
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Safety Instructions P261;P305+P351+P338
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Inchi InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InchiKey RFCBNSCSPXMEBK-INFSMZHSSA-N
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