Exaluren sulfateProduct ingredient for Exaluren
- Name
- Exaluren sulfate
- Drug Entry
- Exaluren
- Accession Number
- DBSALT003347
- Structure
Structure for Exaluren sulfate (DBSALT003347)
- Synonyms
- 6'-(r)-methyl-5-o-(5-amino-5,6-dideoxy-a-l-talofuranosyl)- paromamine sulfate / 6'-(R)-Methyl-5-O-(5-amino-5,6-dideoxy-a-L-talofuranosyl)-paromamine sulfateOS(O)(=O)=O.[H][C@@]1(O[C@@H](O[C@]2([H])[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@@]3([H])O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H]1O)[C@H](C)N / 6'-(r)-methyl-5-o-(5-amino-5,6-dideoxy-alpha-l-talofuranosyl)-paromamine sulfate / D-streptamine, o-5-amino-5,6-dideoxy-.beta.-d-allofuranosyl-(1->5)-o-(2-amino-2,7-dideoxy-d-glycero-.alpha.-d-gluco-heptopyranosyl-(1->4))-2-deoxy-, sulfate / Elx-02 sulfate / Exaluren disulfate / Exaluren sulfate / NB-124 sulfate
- UNII
- Not Available
- CAS Number
- Not Available
- Weight
- Average: 580.6
Monoisotopic: 580.226173158 - Chemical Formula
- C19H40N4O14S
- InChI Key
- BOIAUNVCOPGNOT-STOTURBNSA-N
- InChI
- InChI=1S/C19H38N4O10.H2O4S/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24;1-5(2,3)4/h4-19,24-29H,3,20-23H2,1-2H3;(H2,1,2,3,4)/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-;/m0./s1
- IUPAC Name
- (2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@@]1(O[C@@H](O[C@]2([H])[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@@]2([H])O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O)[C@H](C)N
- External Links
- ChemSpider
- 28648305
- ChEMBL
- CHEMBL2206194
- Predicted Properties
Property Value Source logP -5.6 Chemaxon pKa (Strongest Acidic) 12.19 Chemaxon pKa (Strongest Basic) 9.53 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 10 Chemaxon Polar Surface Area 262.38 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 109.01 m3·mol-1 Chemaxon Polarizability 48.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon