6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26O6
Molecular Weight	374.4275
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Structure Search

SMILES

O[C@@H]1C[C@@H]2CC3=C(OCC(O)=O)C=CC=C3C[C@@H]2[C@H]1CC\C=C\CC(O)=O

InChI

InChIKey=NVTIWSLEXNPHQF-BNNKELBSSA-N

InChI=1S/C21H26O6/c22-18-11-14-10-17-13(5-4-7-19(17)27-12-21(25)26)9-16(14)15(18)6-2-1-3-8-20(23)24/h1,3-5,7,14-16,18,22H,2,6,8-12H2,(H,23,24)(H,25,26)/b3-1+/t14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TREPROSTINIL METABOLITE HU4

Preferred Name

English

6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-

Common Name

English

(E)-6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID

Systematic Name

English

TREPROSTINIL METABOLITE M374

Common Name

English

Code System Code Type Description

FDA UNII

3PE8S99ZTG

Created by admin on Mon Mar 31 20:33:55 GMT 2025 , Edited by admin on Mon Mar 31 20:33:55 GMT 2025

PRIMARY

PUBCHEM

91618009

Created by admin on Mon Mar 31 20:33:55 GMT 2025 , Edited by admin on Mon Mar 31 20:33:55 GMT 2025

PRIMARY

PARENT (METABOLITE)


					RUM6K67ESG

Treprostinil

SUBSTANCE RECORD


					3PE8S99ZTG

6-((1R,2R,3AS,9AS)-5-(CARBOXYMETHOXY)-2-HYDROXY-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-1-YL)HEX-3-ENOIC ACID, (E)-