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doxycycline HCl

Go to external page http://purl.obolibrary.org/obo/CHEBI_652992

The hydrochloride salt of doxycycline.

Term info

Label

doxycycline HCl

Synonyms
  • (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
  • Doxycycline HCl
database cross reference
Subsets

3_STAR

IUPAC NAME
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride [ IUPAC ]

charge

0

formula

C22H25ClN2O8

has alternative id

CHEBI:435234

has obo namespace

chebi_ontology

has related synonym

6-desoxy-5-hydroxytetracycline hydrochloride, (1S,4aS,11R,11aR,12S,12aR)-3-carbamoyl-2,4a,5,7,12-pentahydroxy-N,N,11-trimethyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-1-aminium chloride, alpha-6-deoxy-5-hydroxytetracycline hydrochloride

id

CHEBI:652992

inchi

InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1

inchikey

RUYHIJHUVHIMIR-CVHRZJFOSA-N

mass

480.89600

monoisotopicmass

480.12994

smiles

[Cl-].[H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]([NH+](C)C)[C@]1([H])[C@H]2O

Term relations

Subclass of: