Basic Information |
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Product Name: | CGS 21680C SODIUM SALT |
CAS: | 120225-64-1 |
English Synonyms: | 4-[2-[[6-AMINO-9-(N-ETHYL-BETA-D-RIBOFURANURONAMIDOSYL)-9H-PURIN-2-YL]AMINO]ETHYL]BENZENEPROPANOIC ACID MONOSODIUM SALT ; CGS 21680C SODIUM SALT |
MDL Number.: | MFCD04034600 |
H bond acceptor: | 13 |
H bond donor: | 5 |
Smile: | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)[O-])O)O.[Na+] |
InChi: | InChI=1S/C23H29N7O6.Na/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);/q;+1/p-1/t16-,17+,18-,22+;/m0./s1 |
InChiKey: | InChIKey=NRYCRDCUHXETEK-MJWSIIAUSA-M |
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