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| IUPAC Name: | (1R,10R,12S,17R)-5-amino-11,11,14-trihydroxy-14-oxo-13,15,18-trioxa-2,4,6,9-tetraza-14λ5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-dien-7-onehydrobromide |
| Description: | Nulibry Hydrobromide Salt can be useful in the synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway. |
| Molecular Weight: | 444.13 |
| Molecular Formula: | C10H14N5O8P·HBr |
| Canonical SMILES: | C1C2C(C(C3C(O2)NC4=C(N3)C(=O)NC(=N4)N)(O)O)OP(=O)(O1)O.Br |
| InChI: | InChI=1S/C10H14N5O8P.BrH/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)1H/t2-,4-,5+,8-/m1./s1 |
| InChI Key: | NKQPERIISGIRLV-KGZDAJGASA-N |
| References: | Clinch, K., et al. J. Med. Chem., 56, 1730 (2013). |
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