(Q27077691)

fluprostenol (English)

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid

3 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₉F₃O₆

1 reference

fluprostenol (English)

3 October 2016

canonical SMILES

C1C(C(C(C1O)C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O

1 reference

fluprostenol (English)

3 October 2016

isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O

1 reference

fluprostenol (English)

World Health Organisation international non-proprietary name

3 October 2016

fluprostenol (English)

1 reference

fluprostenol (English)

InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

fluprostenol (English)

WWSWYXNVCBLWNZ-QIZQQNKQSA-N

3 October 2016

InChIKey

2 references

fluprostenol (English)

3 October 2016

ChEBI release 2020-09-01

1 reference

fluprostenol (English)

3 October 2016

1 reference

(+)-Fluprostenol (English)

3 October 2016

1 reference

fluprostenol (English)

3 October 2016

Reaxys registry number

8368795

1 reference

fluprostenol (English)

3 October 2016

ChEBI ID

60782

mapping relation type

1 reference

fluprostenol (English)

3 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1201379 (English)

3 October 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID5026122

0 references

EC number

255-029-3

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.050.010

27 December 2018

ECHA Substance Infocard ID

Fluprostenol (English)

quotation

CAS no.: 40666-16-8 (English)

100.050.010

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.050.010

27 December 2018

AICS Chemical ID (BEING DELETED)

Fluprostenol (English)

quotation

CAS no.: 40666-16-8 (English)

19058

0 references

Guide to Pharmacology Ligand ID

1940

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1940

fluprostenol (English)

3 October 2016

3417

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

6 July 2021

CAS no.: 40666-16-8 (English)

Fluprostenol (English)

UNII

MEH3MCE8X1

1 reference

Global Substance Registration System

UNII

MEH3MCE8X1

FLUPROSTENOL, (+)- (English)