Misoprostol
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Molecular Identity
Misoprostol
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
PubChem CID: 5282381
Misoprostol can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C22H38O5
Molecular Formula
382.50
Molecular Weight
g/mol
382.2719
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
487
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)OIsomeric SMILES
SMILES: CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)OSynonyms(20)
misoprostol59122-46-2CytotecMisoprostolumSC-29333DTXSID7020897SC 293330E43V0BB57DTXCID70897ARTHROTEC COMPONENT MISOPROSTOLmethyl (11alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oatemethyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoateApo MisoprostolProst-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11alpha,13E)-misoprostolo
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Misoprostol
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