Tigecycline (hydrochloride) | CAS No. 197654-04-9

Tigecycline (hydrochloride)

Basic Information

CAS Number

197654-04-9

Molecular Formula

C29H40ClN5O8

Molecular Weight

622.11 g/mol

AD

Basic Physical Properties

O=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])C[C@]3([H])CC4=C(C(C3=C(O)[C@@]21O)=O)C(O)=C(NC(CNC(C)(C)C)=O)C=C4N(C)C)N.Cl

InChI

InChI=1S/C29H39N5O8.ClH/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;/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35);1H/t12-,14-,21-,29-;/m0./s1

InChIKey

ATIINCUPZOADER-KXLOKULZSA-N

LogP

0.9350000000000014

Topological Polar Surface Area

205.76000000000002 Ų

Hydrogen Bond Donor/Acceptor

8 / 13

Synonyms & References

English

  • Tigecycline (hydrochloride)
  • GAR-936 hydrochloride
  • Tigecycline Hydrochloride

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