Mexiprostil
Basic information
- CAS
88980-20-5- Standard SMILES
CCCCC(C)(OC)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC- InChIKey
GGDWDKDPRJFMHD-ZXYUVVQBSA-N- Molecular formula
- C23H40O6
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.28248899
Overview
RN given refers to (11alpha,13E,15R,16R)-isomer
Names & identifiers
- Preferred name
- Mexiprostil
- IUPAC
- methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
- English name
- Mexiprostil
- Molecular weight
- 412.56
Names & synonyms
MexiprostilMexiprostiloMexiprostilum88980-20-5Mdl-646L5U1X99Q9ZDTXSID901021628RefChem:158435DTXCID90150663815 alpha,16-methyl-16-methoxy-PGE115 alpha,16(R),16-methyl-16-methoxy-PGE115 alpha,16(R),16-methyl-16-methoxy-prostaglandin E1
Show more names
Methyl (13E,15R)-11alpha,15-dihydroxy-4-methoxy-4-methyl-5-oxo-13-prostenoat(1R,2R,3R)-3-Hydroxy-2-[(1E,3R)-3-hydroxy-4-methoxy-4-methyl-1-octenyl]-5-oxocyclopentaneheptanoic acid methyl ester
Prost-13-en-1-oic acid, 11,15-dihydroxy-16-methoxy-16-methyl-9-oxo-, (11alpha,13E,15R,16R)-Mexiprostil [INN]Methyl (1R,2R,3R)-3-hydroxy-2-((E)-(3R)-3-hydroxy-4-methoxy-4-methyloctyl)-5-oxocyclopentaneheptanoateMexiprostilum [Latin]Mexiprostilo [Spanish]UNII-L5U1X99Q9ZMEXIPROSTIL [MART.]methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Database identifiers
- CAS
88980-20-5- PubChem CID
- 6436041
- DTXSID
DTXSID901021628
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 525.993 · 525.993±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.846 · 13.846±0.60(predicted)
- FDA UNII
- 5 U1X99Q9Z · L5U1X99Q9Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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