| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 27 | Yes |
Popular Name: Misoprostol Misoprostol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103601-27-0 , 58717-36-5 , 59122-46-2 , [59122-46-2]
(+/-)-15-Deoxy-(16RS)-16-hydroxy-16-methylprostaglandin E1 methyl ester
(11-alpha,13E)-(+-)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid methyl ester
59122-46-2; Cytotec (TN); D00419; Misoprostol (JAN/USAN/INN)
ARTHROTEC; C22H38O5.C14H10Cl2NO2.Na; DICLOFENAC SODIUM; MISOPROSTOL; LS-178476
Methyl (+-)-11-alpha,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
Methyl (11alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
methyl 7-{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, (11alpha,13E)-
Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11alpha,13E)-(+-)-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.88 | 8.22 | -10.5 | 2 | 5 | 0 | 84 | 382.541 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.64e-02 g/l | DrugBank-approved |
| PUBCHEM_PATENT_ID | EP0129908A1; EP0186181A2; EP0218953A2; EP0225044A1; EP0225044B1; EP0272918A2; EP0272918B1; EP0272987A2; EP0272987B1; EP0289512A1; EP0289512B1; EP0294757A2; EP0294757B1; EP0297842A2; EP0305756A1; EP0305756B1; EP0316168A1; EP0316168B1; EP0317959A2; EP031957 | IBM Patent Data |
