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ChEBI
> Main
CHEBI:6806 - Methacycline hydrochloride
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ChEBI Ontology
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ChEBI Name
Methacycline hydrochloride
ChEBI ID
CHEBI:6806
Stars
This entity has been manually annotated by a third party.
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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