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(Q107407149)
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English
lubiprostone (open form)
chemical compound
(11α)-16,16-difluoro-11-hydroxy-9,15-dioxoprostan-1-oic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
390.22178056399997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
7-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
tautomer of
lubiprostone
0 references
chemical formula
C₂₀H₃₂F₂O₅
0 references
canonical SMILES
O=C(O)CCCCCCC1C(=O)CC(O)C1CCC(=O)C(F)(F)CCCC
0 references
isomeric SMILES
C(CC(C(CCCC)(F)F)=O)[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)C[C@H]1O
0 references
Identifiers
InChI
InChI=1S/C20H32F2O5/c1-2-3-12-20(21,22)18(25)11-10-15-14(16(23)13-17(15)24)8-6-4-5-7-9-19(26)27/h14-15,17,24H,2-13H2,1H3,(H,26,27)/t14-,15-,17-/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
DBVFKLAGQHYVGQ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
136790-76-6
0 references
DrugBank ID
01046
1 reference
stated in
DrugBank
DrugBank ID
01046
retrieved
6 July 2021
quotation
CAS no.: 136790-76-6
(English)
title
Lubiprostone
(English)
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