Misoprostol

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Systematic / IUPAC Name: Methyl (11α,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate

ID: Reference7588

Other Names: Gymiso;
Isprelor;
Misogon;
Misopess;
Misoprostil ; more

Formula: C22H38O5

Class: Therapeutics/Prescription Drugs

Spectral Data

Misoprostol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 92
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/20/2018 1:28:43 PM
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Identificators

InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
InChI Key OJLOPKGSLYJEMD-URPKTTJQSA-N
Canonical SMILES CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O
CAS 59122462
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Other Names Gymiso;
Isprelor;
Misogon;
Misopess;
Misoprostil;
Misoprostolum;
7-[(1R,2R,3R)-3-Hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester;
Methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate;
Methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoate;
Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11α,13E)-

In Other Databases

HMDb HMDB15064
ChemSpider 4445541
DrugBank DB00929; DB05379
Wikipedia Misoprostol
ChemIDPlus 059122462
ChEMBL CHEMBL606
KEGG D00419
ChEBI CHEBI:94387
PubChem 5282381