Tafluprost acid

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28F2O5
Molecular Weight	410.4515
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Tafluprost acid

Structure Search

SMILES

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

InChI

InChIKey=KIQXRQVVYTYYAZ-VKVYFNERSA-N

InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28F2O5
Molecular Weight	410.4515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:12:33 UTC 2023` Edited by `admin` on `Sat Dec 16 09:12:33 UTC 2023`
Record UNII	WTV8EPZ396
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tafluprost acid

Common Name

English

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)-

Systematic Name

English

Tafluprost free acid

Common Name

English

(5Z)-7-[(1R,2R,3R,5S)-2-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid

Systematic Name

English

AFP-172

Code

English

Code System Code Type Description

FDA UNII

WTV8EPZ396

Created by admin on Sat Dec 16 09:12:33 UTC 2023 , Edited by admin on Sat Dec 16 09:12:33 UTC 2023

PRIMARY

PUBCHEM

9978917

Created by admin on Sat Dec 16 09:12:33 UTC 2023 , Edited by admin on Sat Dec 16 09:12:33 UTC 2023

PRIMARY

CAS

209860-88-8

Created by admin on Sat Dec 16 09:12:33 UTC 2023 , Edited by admin on Sat Dec 16 09:12:33 UTC 2023

PRIMARY

EPA CompTox

DTXSID60694020

Created by admin on Sat Dec 16 09:12:33 UTC 2023 , Edited by admin on Sat Dec 16 09:12:33 UTC 2023

PRIMARY

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Tafluprost acid

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC