Tigecycline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 96
Total Number of Articles : 139
PubChem 54686904
Molecular Formula

C29H39N5O8

SMILES

CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C

InChI

InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

synonyms
  • Tigecycline
  • 220620-09-7
  • Tygacil
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Properties
Property Value
MW 585.6 g/mol
HBD 7
HBA 11
Rotatable Bond Count 7
Exact Mass 585.27986322 g/mol
Monoisotopic Mass 585.27986322 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1240
xlogp 1.1
Topological Polar Surface Area 206