Compound ID | 1057

Update compound information

Thiacycline

Synonym(s): EMD 33330

Class: Tetracycline

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Most recently has been explored as an anti-parasitic and as a starting point for new synthetic tetracyclines
Institute where first reported: E.Merck
Year first mentioned: 1977
Development status: Inactive
Reason Dropped: Toxicity problems in humans
Chemical structure(s):
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Molecular weight: 432.45
Iso. SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(C4=C(C=CC=C4S3)O)O)C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O
InChI Key: SODSCLKYSYCYLH-OZZRDPTJSA-N
Can. SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(C4=C(C=CC=C4O)S3)O)C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O
InChI: InChI=1S/C20H20N2O7S/c1-22(2)14-7-6-10-12(15(24)11-8(23)4-3-5-9(11)30-10)17(26)20(7,29)18(27)13(16(14)25)19(21)28/h3-5,7,10,14,23-24,27,29H,6H2,1-2H3,(H2,21,28)/t7-,10-,14-,20-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/54676882
Citations:
  • https://www.ncbi.nlm.nih.gov/pubmed/7050073

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