Bioactive Compound Details

BioIDbio200461
NameTOBRAMYCIN SULFATE
ChEMBL IDCHEMBL3989564
Molecular FormulaC36H84N10O38S5
Molecular Weight1425.44
Molecular Weight (Monoisotopic)467.2591
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsGERNEBCIN|NEBCIN|NEBICINA|OBRACIN|TOBRA|TOBRADISTIN|TOBRAMYCIN SULFATE|TOBRAMYCIN SULFATE (2:5)|TOBRAMYCIN SULFATE (PHARMACY BULK)|TOBRAMYCIN SULPHATE
SmilesNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InchiInChI=1S/2C18H37N5O9.5H2O4S/c2*19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;5*1-5(2,3)4/h2*5-18,24-28H,1-4,19-23H2;5*(H2,1,2,3,4)/t2*5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;;;;;/m00...../s1
Inchi KeyNZKFUBQRAWPZJP-BXKLGIMVSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score1.43
Records Key['TOBRAMYCIN SULFATE', 'TOBRAMYCIN SULFATE', 'TOBRAMYCIN SULFATE']
Records Name['TOBRAMYCIN SULFATE', 'TOBRAMYCIN SULFATE', 'TOBRAMYCIN SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure