CHEBI:6806 - Methacycline hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Methacycline hydrochloride
ChEBI ID CHEBI:6806
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H22N2O8.HCl
Net Charge 0
Average Mass 478.880
Monoisotopic Mass 478.11429
InChI InChI=1S/C22H22N2O8.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;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1
InChIKey VZQARNDJLLWXGL-CCHMMTNSSA-N
SMILES Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O
ChEBI Ontology
Outgoing Methacycline hydrochloride (CHEBI:6806) is a organic molecular entity (CHEBI:50860)
Synonym Source
Methacycline hydrochloride KEGG COMPOUND
Manual Xrefs Databases
C08029 KEGG COMPOUND
D00849 KEGG DRUG
View more database links
Registry Number Type Source
3963-95-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014