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clomocycline

Go to external page http://purl.obolibrary.org/obo/CHEBI_59589

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.

Term info

Label

clomocycline

Synonyms
  • (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
database cross reference
Subsets

3_STAR

IUPAC NAME
(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 [ IUPAC ]

INN
clomocyclina [ ChemIDplus ]

INN
clomocycline [ ChemIDplus ]

INN
clomocyclinum [ ChemIDplus ]

charge

0

formula

C23H25ClN2O9

has obo namespace

chebi_ontology

has related synonym

clomocyclina, clomocyclinum, chlormethylenecycline, clomocycline

id

CHEBI:59589

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

mass

508.90600

monoisotopicmass

508.12486

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