3-((1R,2R,3AS,9AS)-5-(CARBOXYMETHYLOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)PROPANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O6
Molecular Weight	334.3637
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((1R,2R,3AS,9AS)-5-(CARBOXYMETHYLOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)PROPANOIC ACID

Structure Search

SMILES

[H][C@]12C[C@@H](O)[C@H](CCC(O)=O)[C@@]1([H])CC3=C(C2)C(OCC(O)=O)=CC=C3

InChI

InChIKey=PQQZCEVSXPZNPY-SFDCQRBFSA-N

InChI=1S/C18H22O6/c19-15-8-11-7-14-10(2-1-3-16(14)24-9-18(22)23)6-13(11)12(15)4-5-17(20)21/h1-3,11-13,15,19H,4-9H2,(H,20,21)(H,22,23)/t11-,12+,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O6
Molecular Weight	334.3637
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:17:24 UTC 2023` Edited by `admin` on `Sat Dec 16 15:17:24 UTC 2023`
Record UNII	YE810YV6N7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((1R,2R,3AS,9AS)-5-(CARBOXYMETHYLOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)PROPANOIC ACID

Systematic Name

English

TREPROSTINIL METABOLITE HU2

Common Name

English

Code System Code Type Description

FDA UNII

YE810YV6N7

Created by admin on Sat Dec 16 15:17:24 UTC 2023 , Edited by admin on Sat Dec 16 15:17:24 UTC 2023

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PUBCHEM

145721974

Created by admin on Sat Dec 16 15:17:24 UTC 2023 , Edited by admin on Sat Dec 16 15:17:24 UTC 2023

PRIMARY

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