Irodanoprost

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H44F2N2O13P2
Molecular Weight	788.6631
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCCCCCN1[C@H](CCC1=O)\C=C\[C@@H](OC(=O)CC2=CC=C(C=C2)C(=O)NCCCC(O)(P(O)(O)=O)P(O)(O)=O)C(F)(F)C3=CC=CC=C3

InChI

InChIKey=WBNMYVUBICLYSQ-WCAXJYTHSA-N

InChI=1S/C34H44F2N2O13P2/c35-34(36,26-9-4-3-5-10-26)28(18-16-27-17-19-29(39)38(27)22-7-2-1-6-11-30(40)41)51-31(42)23-24-12-14-25(15-13-24)32(43)37-21-8-20-33(44,52(45,46)47)53(48,49)50/h3-5,9-10,12-16,18,27-28,44H,1-2,6-8,11,17,19-23H2,(H,37,43)(H,40,41)(H2,45,46,47)(H2,48,49,50)/b18-16+/t27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H44F2N2O13P2
Molecular Weight	788.6631
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:13:56 GMT 2025` Edited by `admin` on `Wed Apr 02 21:13:56 GMT 2025`
Record UNII	KP8BK46Z6R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R)-2-[(1E,3R)-4,4-Difluoro-3-[[2-[4-[[(4-hydroxy-4,4-diphosphonobutyl)amino]carbonyl]phenyl]acetyl]oxy]-4-phenyl-1-buten-1-yl]-5-oxo-1-pyrrolidineheptanoic acid

Preferred Name

English

Irodanoprost

Official Name

English

7-[(2R)-2-{(1E,3R)-4,4-difluoro-3-[({4-[(4-hydroxy-4,4-diphosphonobutyl)carbamoyl]phenyl}acetyl)oxy]-4-phenylbut-1-en-1-yl}-5-oxopyrrolidin-1-yl]heptanoic acid

Systematic Name

English

irodanoprost [INN]

Common Name

English

1-Pyrrolidineheptanoic acid, 2-[(1E,3R)-4,4-difluoro-3-[[2-[4-[[(4-hydroxy-4,4-diphosphonobutyl)amino]carbonyl]phenyl]acetyl]oxy]-4-phenyl-1-buten-1-yl]-5-oxo-, (2R)-

Systematic Name

English

Code System Code Type Description

INN

12903

Created by admin on Wed Apr 02 21:13:56 GMT 2025 , Edited by admin on Wed Apr 02 21:13:56 GMT 2025

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FDA UNII

KP8BK46Z6R

Created by admin on Wed Apr 02 21:13:56 GMT 2025 , Edited by admin on Wed Apr 02 21:13:56 GMT 2025

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CAS

2055490-48-5

Created by admin on Wed Apr 02 21:13:56 GMT 2025 , Edited by admin on Wed Apr 02 21:13:56 GMT 2025

PRIMARY

PUBCHEM

124125151

Created by admin on Wed Apr 02 21:13:56 GMT 2025 , Edited by admin on Wed Apr 02 21:13:56 GMT 2025

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Related Record Type Details


					KP8BK46Z6R

Irodanoprost

ACTIVE MOIETY

Comments:

Prostaglandin receptor agonist

Amount: