ICI-79939

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29FO6
Molecular Weight	408.4605
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H](COC1=CC=C(F)C=C1)\C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O

InChI

InChIKey=CVJGVCBPOYDYKS-NPAWSBIBSA-N

InChI=1S/C22H29FO6/c23-15-7-10-17(11-8-15)29-14-16(24)9-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-12,16,18-21,24-26H,2,4-6,13-14H2,(H,27,28)/b3-1-,12-9+/t16-,18-,19-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H29FO6
Molecular Weight	408.4605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:30:36 GMT 2023` Edited by `admin` on `Sat Dec 16 11:30:36 GMT 2023`
Record UNII	PU7TEU26SR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICI-79939

Common Name

English

5-HEPTENOIC ACID, 7-(2-(4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-, (1.ALPHA.(Z),2.BETA.(1E,3R*),3.ALPHA.,5.ALPHA.)-(±)-

Systematic Name

English

ICI-79939, (±)-

Code

English

REL-(5Z)-7-((1R,2R,3R,5S)-2-((1E,3R)-4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-3,5-DIHYDROXYCYCLOPENTYL)-5-HEPTENOIC ACID

Systematic Name

English

5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(4-FLUOROPHENOXY)-3-HYDROXY-1-BUTEN-1-YL)-3,5-DIHYDROXYCYCLOPENTYL)-, (5Z)-REL-

Systematic Name

English

Code System Code Type Description

CAS

40666-03-3

Created by admin on Sat Dec 16 11:30:36 GMT 2023 , Edited by admin on Sat Dec 16 11:30:36 GMT 2023

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FDA UNII

PU7TEU26SR

Created by admin on Sat Dec 16 11:30:36 GMT 2023 , Edited by admin on Sat Dec 16 11:30:36 GMT 2023

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PUBCHEM

119058382

Created by admin on Sat Dec 16 11:30:36 GMT 2023 , Edited by admin on Sat Dec 16 11:30:36 GMT 2023

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