CHEBI:9216 - spectinomycin dihydrochloride

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ChEBI Name spectinomycin dihydrochloride
ChEBI ID CHEBI:9216
Definition A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H26Cl2N2O7
Net Charge 0
Average Mass 405.27100
Monoisotopic Mass 404.11171
InChI InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1
InChIKey FOGDPGQSHLLYIK-XYQGXRRISA-N
SMILES Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing spectinomycin dihydrochloride (CHEBI:9216) has part spectinomycin(2+) (CHEBI:77315)
spectinomycin dihydrochloride (CHEBI:9216) has role antibacterial drug (CHEBI:36047)
spectinomycin dihydrochloride (CHEBI:9216) has role antimicrobial agent (CHEBI:33281)
spectinomycin dihydrochloride (CHEBI:9216) is a hydrochloride (CHEBI:36807)
IUPAC Names
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium dichloride
Synonyms Sources
Spectinomycin dihydrochloride KEGG COMPOUND
Spectinomycin HCl ChemIDplus
Spectinomycin hydrochloride ChemIDplus
Spectinomycin hydrochloride anhydrous ChemIDplus
Manual Xrefs Databases
C11619 KEGG COMPOUND
DB00919 DrugBank
Spectinomycin Wikipedia
US4203903 Patent
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Registry Numbers Types Sources
10503301 Reaxys Registry Number Reaxys
21736-83-4 CAS Registry Number KEGG COMPOUND
21736-83-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
12 February 2014