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Chemistry

Mol. Mass

585.6487

ALogP

0.51

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(O)=C(NC(=O)CNC(C)(C)C)C=C4N(C)C
  • InChIKey: FPZLLRFZJZRHSY-HJYUBDRYSA-N
    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/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL376140   ChEMBL
tigecycline

70JE2N95KR   NCATS
tigecycline *

Tigecycline   Wikipedia

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