Streptoniazid
N-[[5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-3-hydroxy-2-methyloxolan-3-yl]methylideneamino]pyridine-4-carboxamide
Also Known As: Streptoniazid|Streptohydrazid|Streptonicozid|Isonicotinic acid, hydrazide, hydrazone with Streptomycin|N,N'-{(1R,2R,3S,4R,5R,6S)-4-[(5-Deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-{[2-(pyridine-4-carbonyl)hydrazinylidene]methyl}-alpha-L-lyxofuranosyl)oxy]-2,5,6-trihydroxycyclohexane-1,3-diyl}diguanidine|N-[[5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-3-hydroxy-2-methyloxolan-3-yl]methylideneamino]pyridine-4-carboxamide
| Molecular Formula | C27H44N10O12 |
|---|---|
| Molecular Weight | 700.314 g/mol |
| LogP | -7.55 |
| Topological Polar Surface Area | 373.71 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 700.314 |
| Heavy Atoms | 49 |
| Complexity | 1354.8 |
Chemical Identifiers
| CAS Number | 4480-58-4 |
|---|---|
| SMILES | CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=NNC(=O)C4=CC=NC=C4)O |
Product Overview
Streptoniazid (CAS 4480-58-4), with molecular formula C27H44N10O12 and molecular weight 700.314 g/mol. IUPAC: N-[[5-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-3-hydroxy-2-methyloxolan-3-yl]methylideneamino]pyridine-4-carboxamide.
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