loading...| Preferred Name |
clomocycline |
| Synonyms |
clomocyclinum clomocyclina chlormethylenecycline clomocycline (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
| Definitions |
Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_59589 |
| charge |
0 |
| database_cross_reference |
Patent:BE628142 DrugBank:DB00453 Drug_Central:702 KEGG:D06885 CAS:1181-54-0 |
| definition |
Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia. |
| formula |
C23H25ClN2O9 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_33281 http://purl.obolibrary.org/obo/CHEBI_36047 |
| has_exact_synonym |
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
clomocyclinum clomocyclina chlormethylenecycline clomocycline |
| id |
CHEBI:59589 |
| in_subset | |
| inchi |
InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1 |
| inchikey |
GJGDLRSSCNAKGL-KMVLDZISSA-N |
| label |
clomocycline |
| mass |
508.90600 |
| monoisotopicmass |
508.12486 |
| notation |
CHEBI:59589 |
| prefLabel |
clomocycline |
| smiles |
[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C |
| treeView | |
| subClassOf |