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Prostaglandin E1 Ethyl Ester
Also known as: Prostaglandin e1 ethyl ester, 35900-16-4, Pge1 ethyl ester, Ig6wr57rzt, Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, ethyl ester, (11alpha,13e,15s)-, Unii-ig6wr57rzt
Molecular Formula
C22H38O5
Molecular Weight
382.5  g/mol
InChI Key
LVDCZROIKIHUKJ-QZCLESEGSA-N
FDA UNII
IG6WR57RZT

1 2D Structure

Prostaglandin E1 Ethyl Ester

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
2.1.2 InChI
InChI=1S/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h14-15,17-19,21,23,25H,3-13,16H2,1-2H3/b15-14+/t17-,18+,19+,21+/m0/s1
2.1.3 InChI Key
LVDCZROIKIHUKJ-QZCLESEGSA-N
2.1.4 Canonical SMILES
CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)OCC)O)O
2.1.5 Isomeric SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCC)O)O
2.2 Other Identifiers
2.2.1 UNII
IG6WR57RZT
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Pge1 Ethyl Ester

2. Prostaglandin E1 Ethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. Prostaglandin E1 Ethyl Ester

2. 35900-16-4

3. Pge1 Ethyl Ester

4. Ig6wr57rzt

5. Prost-13-en-1-oic Acid, 11,15-dihydroxy-9-oxo-, Ethyl Ester, (11alpha,13e,15s)-

6. Unii-ig6wr57rzt

7. Schembl23352724

8. Dtxsid10189476

9. Zinc6852902

10. Ethyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate

11. Alprostadil Impurity I [ep Impurity]

12. Q27280712

13. Prost-13-en-1-oic Acid, 11,15-dihydroxy-9-oxo-, Ethyl Ester, (11.alpha.,13e,15s)-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 382.5 g/mol
Molecular Formula C22H38O5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass382.27192431 g/mol
Monoisotopic Mass382.27192431 g/mol
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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