| CAS Number | 56828-40-1 |
| Catalog Number | AG00ECZQ(AGN-PC-0WAIIK) |
| Chemical Name | Minoxidil b-D-Glucuronide |
| IUPAC Name | (2S,3S,4S,5R)-6-(2,6-diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate |
| InChI | InChI=1S/C15H23N5O7/c16-7-6-8(19-4-2-1-3-5-19)18-15(17)20(7)27-14-11(23)9(21)10(22)12(26-14)13(24)25/h6,9-12,14,21-23H,1-5H2,(H4,16,17,18,24,25)/t9-,10-,11+,12-,14?/m0/s1 |
| InChI Key | LROBBFGRUDJFDG-ZAOAHOKWSA-N |
| Molecular Formula | C15H23N5O7 |
| Molecular Weight | 385.3724 |
| SMILES | Nc1cc(nc(N)[n+]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])N3CCCCC3 |
| Synonyms | 56828-40-1,
Minoxidil beta-D-Glucuronide,
(2S,3S,4S,5R)-6-(2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate,
Minoxidil Glucuronide,
Minoxidil D-glucuronide,
MINOXIDILGLUCURONIDE,
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| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.159748g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.37g/mol |
| Monoisotopic Mass | 385.159748g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 191Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number