minocycline   Click here for help

GtoPdb Ligand ID: 10831

Synonyms: CL 59806 | CL-59806 | CL59806 | Dynacin® | MINO | Minocin® | NSC-141993
Approved drug
minocycline is an approved drug (FDA (1971), UK (1995))
Compound class: Synthetic organic
Comment: Minocycline is a tetracycline antibacterial that has activity against Gram-negative and Gram-positive bacteria.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 164.63
Molecular weight 457.18
XLogP 1.12
No. Lipinski's rules broken 0
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Canonical SMILES CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C
Isomeric SMILES CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C
InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1971), UK (1995))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1646 minocycline
Synonyms Click here for help
CL 59806 | CL-59806 | CL59806 | Dynacin® | MINO | Minocin® | NSC-141993
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Minocycline
Other databases
CAS Registry No. 10118-90-8 (source: WHO INN record)
DrugBank Ligand DB01017
GtoPdb PubChem SID 405560272
PubChem CID 54675783
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UniChem Compound Search for chemical match using the InChIKey FFTVPQUHLQBXQZ-KVUCHLLUSA-N
UniChem Connectivity Search for chemical match using the InChIKey FFTVPQUHLQBXQZ-KVUCHLLUSA-N