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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H20O7
Molecular Weight	348.3472
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)-3-OXO-PROPANOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=DOJGHLHOKCCXNV-ZMYIOMMISA-N

InChI=1S/C18H20O7/c19-13-6-10-5-11-9(2-1-3-15(11)25-8-17(23)24)4-12(10)18(13)14(20)7-16(21)22/h1-3,10,12-13,18-19H,4-8H2,(H,21,22)(H,23,24)/t10-,12-,13+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H20O7
Molecular Weight	348.3472
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	HPF54LEW6V
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)-3-OXO-PROPANOIC ACID

Systematic Name

English

TREPROSTINIL METABOLITE HU3

Common Name

English

Code System Code Type Description

PUBCHEM

156613865

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

FDA UNII

HPF54LEW6V

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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TREPROSTINIL

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Qualification:

URINE

Amount: