Chlortetracycline

AlkaPlorer ID: AK018701

Synonym: 'Chlortetracycline', 'Chlortetracyclin'

IUPAC Name: (4S,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Structure

SMILES: CN(C)[C@@H]1C(=O)C(C(=N)O)=C(O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC(Cl)=C4[C@@](C)(O)C3CC12

copy

InChI: InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8?,15-,21-,22-/m0/s1

copy

InChIKey: DHPRQBPJLMKORJ-JQUJOMIUSA-N

copy

Properties Information

Molecule Weight: 478.8850000000002

TPSA: 182.61

MolLogP: 1.33237

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information