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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O5
Molecular Weight 390.5131
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TREPROSTINIL

SMILES

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

InChI

InChIKey=PAJMKGZZBBTTOY-ZFORQUDYSA-N
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI
Molecular Formula C23H34O5
Molecular Weight 390.5131
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:07 UTC 2023
Edited
by admin
on Sat Dec 16 17:03:07 UTC 2023
Record UNII
RUM6K67ESG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TREPROSTINIL
INN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
RUMODOLIN
Brand Name English
LRX-15
Code English
TREPROSTINIL PHOSPHATE [USAN]
Common Name English
TREPROSTINIL [USAN]
Common Name English
L606
Code English
treprostinil [INN]
Common Name English
TREPROSTINIL [JAN]
Common Name English
L-606
Code English
[(1R,2R,3aS,9aS)-2-Hydroxy-1-((3S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cylopent[b]naphthalen-5-yl]oxy]acetate
Common Name English
TYVASO
Brand Name English
REMODULIN
Brand Name English
15-AU-81
Code English
TREPROSTINIL [ORANGE BOOK]
Common Name English
TREPROSTINIL [MART.]
Common Name English
Treprostinil [WHO-DD]
Common Name English
UT-15
Code English
TREPROSTINIL [VANDF]
Common Name English
UNIPROST
Brand Name English
15AU81
Code English
TREPROSTINIL [MI]
Common Name English
ACETIC ACID,(((1R,2R,3AS,9AS)-2,3,3A,4,9,9A-HEXAHYDRO-2-HYDROXY-1-((3S)-3-HYDROXYOCTYL)-1H-BENZ(F)INDEN-5-YL)OXY)-
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 189104
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
WHO-ATC B01AC21
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NDF-RT N0000011280
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NCI_THESAURUS C78568
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
LIVERTOX 992
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NCI_THESAURUS C29707
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
FDA ORPHAN DRUG 105197
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
FDA ORPHAN DRUG 711319
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NDF-RT N0000009909
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NDF-RT N0000011280
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
WHO-VATC QB01AC21
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NDF-RT N0000011280
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
FDA ORPHAN DRUG 787620
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
NDF-RT N0000175416
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
Code System Code Type Description
LACTMED
Treprostinil
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
INN
8170
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
MERCK INDEX
m11018
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY Merck Index
CHEBI
50863
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID901021654
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
IUPHAR
5820
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
DRUG CENTRAL
2720
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
RXCUI
343048
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY RxNorm
FDA UNII
RUM6K67ESG
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
DAILYMED
RUM6K67ESG
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
EVMPD
SUB21168
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
PUBCHEM
6918140
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
CAS
81846-19-7
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
NCI_THESAURUS
C61983
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
WIKIPEDIA
TREPROSTINIL
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
USAN
MM-25
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
DRUG BANK
DB00374
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
SMS_ID
100000092046
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL1237119
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
CHEBI
50861
Created by admin on Sat Dec 16 17:03:09 UTC 2023 , Edited by admin on Sat Dec 16 17:03:09 UTC 2023
PRIMARY
Related Record Type Details
Structure of TREPROSTINIL DIOLAMINE
SALT/SOLVATE -> PARENT
PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA
TARGET -> AGONIST
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
P2Y PURINOCEPTOR 12
TARGET -> AGONIST
PROSTACYCLIN RECEPTOR
TARGET -> AGONIST
Structure of TREPROSTINIL
EXCRETED UNCHANGED
URINE
Structure of TREPROSTINIL SODIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of Treprostinil Phosphate
PRODRUG -> METABOLITE ACTIVE
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
METABOLITE -> PARENT
URINE
Structure of TREPROSTINIL PALMITIL
PRODRUG -> METABOLITE ACTIVE
Structure of (2S,3S,4S,5R,6S)-6-(2-(((1R,2R,3AS,9AS)-2-HYDROXY-1-((3S)-3-HYDROXYOCTYL)-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(G)NAPHTHALEN-5-YL)OXY)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
METABOLITE -> PARENT
URINE
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)-
METABOLITE -> PARENT
URINE
Related Record Type Details
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
IMPURITY -> PARENT
URINE
Related Record Type Details
Structure of TREPROSTINIL
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
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