Primary record
misoprostol
- CAS
- 59122-46-2
- PubChem CID
- 42955
- SMILES
- CCCCC(C)(CC=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O
- Molecular Formula
- C22H38O5
- Molecular Weight
- 382.541
- Exact Mass
- 382.2719
- 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/t17-,18-,20-,22?/m1/s1
- InChIKey
- OJLOPKGSLYJEMD-LNQMSSPSSA-N
- LogP
- 3.9536
- TPSA
- 83.83
Names and synonyms
- misoprostol
- Misoprostol (SC-29333)
- SCHEMBL5956198
- CTK8G1129
- AKOS030228541
- Q27166232
- (+/-)-methyl 11alpha,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
- 59122-46-2
- 58717-37-6
- 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid methyl ester
- Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11|A,13Z)-( inverted exclamation markA)-