Isobutol
(1R)-1-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate
Also Known As: Isobutol|Isoetham|Isoetam|KST-1A5616|KST-1A5617|Ethambutol isoniazid methanesulfonate|(2s)-2-[2-[[(1r)-1-hydroxybutyl]amino]ethylamino]butan-1-ol;(n'-(pyridine-4-carbonyl)hydrazino)methanesulfonate|Di-isoniazidmethane sulfonate of d(+)2,2'(ethylenediimino)di-1-butanol|(1R)-1-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate|2'-(Sulphomethyl)isonicotinohydrazide, compound with (S-(R*,R*))-2,2'-(ethylenediimino)di(butan-1-ol) (2:1)|4-Pyridinecarboxylic acid, 2-(sulfomethyl)hydrazide, compd. with (S-(R*,R*))-2,2'-(1,2-ethanediyldiimino)bis(1-butanol) (2:1)
| Molecular Formula | C17H32N5O6S- |
|---|---|
| Molecular Weight | 434.20734 g/mol |
| LogP | -1.1263 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 434.20734 |
| Monoisotopic Mass | 434.20734 |
| Heavy Atoms | 29 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5408-63-9 |
|---|---|
| SMILES | CCC[C@H](NCCN[C@@H](CC)CO)O.C1=CN=CC=C1C(=O)NNCS(=O)(=O)[O-] |
| InChIKey | UEVZYRJSEWSZEF-BAUSSPIASA-M |
Product Overview
Isobutol (CAS 5408-63-9), with molecular formula C17H32N5O6S- and molecular weight 434.20734 g/mol. IUPAC: (1R)-1-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate.
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