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Reference substances

Reference substances

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General information

Inventory

EC number:
469-910-7
EC name:
-
CAS number:
-

No inventory information available

Reference substance information

IUPAC name:
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-, pentanedioate (salt)
Synonyms
Names:
1592U89 Glutarate
1597(GW ACN)
GI265235E

Molecular and structural information

Molecular formula:
C14 H18 N6 O. C5 H8 O4
Molecular weight:
418.456
SMILES notation:
OC(=O)CCCC(O)=O.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
InChl:
InChI=1S/C14H18N6O.C5H8O4/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;6-4(7)2-1-3-5(8)9/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1-3H2,(H,6,7)(H,8,9)/t8-,10+;/m1./s1
AuxInfo=1/1/N:13,20,21,14,11,15,1,12,19,10,3,4,8,6,17,2,18,5,7,9,16;24,22,25,23,26,28,29,27,30/E:(2,3);(2,3)(4,5)(6,7,8,9)/gE:;(1,2)/it:im;/rA:30cCNCCNCNCNCCCCCCONNCCCCCCCCOOOO/rB:d1;s2;s3;d4;s5;d6;d3s7;s1s8;n9;s10;s11;s12;s10d13;N12;s15;s6;s4;s18;s19;s19s20;;s22;s22;s24;s25;s26;s23;d23;d26;/rC:.6538,-.6979,0;1.1387,-.0305,0;1.9233,-.2854,0;2.6378,.1271,0;3.3523,-.2854,0;3.3523,-1.1104,0;2.6378,-1.5229,0;1.9233,-1.1104,0;1.1387,-1.3654,0;.8838,-2.15,0;1.3687,-2.8174,0;.8838,-3.4849,0;.0992,-3.2299,0;.0992,-2.4049,0;1.1387,-4.2695,0;.5867,-4.8826,0;4.0668,-1.5229,0;2.6378,.9521,0;3.3523,1.3646,0;3.7648,2.079,0;4.1773,1.3646,0;5.1998,-4.1987,0;4.4853,-3.7862,0;5.9142,-3.7862,0;6.6287,-4.1987,0;7.3432,-3.7862,0;8.0576,-4.1987,0;3.7708,-4.1987,0;4.4853,-2.9612,0;7.3432,-2.9612,0;
Structural formula:
Chemical structure