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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:00, 20 February 2012 (Saving copy of the {{drugbox}} taken from revid 476697623 of page Spiramycin for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:00, 20 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 476697623 of page Spiramycin for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{drugbox}}) taken from revid 476697623 of page Spiramycin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other names2-oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
ATC code
Identifiers
IUPAC name
  • (4R,5S,6R,7R,9R,10R,11E,13E,16R)-10-{oxy}-9,16-dimethyl-5-methoxy-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-α-D-glucopyranoside
CAS Number
PubChem CID
ChemSpider
UNII
KEGG
NIAID ChemDB
Chemical and physical data
FormulaC43H74N2O14
Molar mass843.053 g/mol g·mol
3D model (JSmol)
Solubility in waterInsoluble in water; Very soluble in acetonitrile and methanol; Almost completely(>99.5) in ethanol. mg/mL (20 °C)
SMILES
  • O=CCC4C(OC2OC(C(OC1OC(C)C(O)C(O)(C)C1)C(N(C)C)C2O)C)C(OC)C(O)CC(=O)OC(C)C\C=C\C=C\C(OC3OC(C)C(N(C)C)CC3)C(C)C4
InChI
  • InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+
  • Key:ACTOXUHEUCPTEW-OBURPCBNSA-N
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