Structure

Lubiprostone

CAS
333963-40-9
Catalog Number
ACM333963409
Category
Other Products
Molecular Weight
390.46
Molecular Formula
C20H32F2O5

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Specification

Synonyms
(2R,4aR,5R,7aR)-2-(1,1-Difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-heptanoic acid;Lubiprostone;Prostan-1-oic acid, 11,15-epoxy-16,16-difluoro-15-hydroxy-9-oxo-, (11alpha,15R)-;Spi 0211;Unii-7662kg2R6k
IUPAC Name
7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
Canonical SMILES
CCCCC(C1(CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)O)(F)F
InChI Key
WGFOBBZOWHGYQH-MXHNKVEKSA-N
Boiling Point
532.3ºC at 760 mmHg
Flash Point
275.7ºC
Density
1.175
EC Number
603-977-7
Exact Mass
390.22200
H-Bond Acceptor
7
H-Bond Donor
2
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