U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H66O5
Molecular Weight 614.9383
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TREPROSTINIL PALMITIL

SMILES

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

InChI

InChIKey=XOKCXRVJBBLBSX-HDMCCQRMSA-N
InChI=1S/C39H66O5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-26-43-39(42)30-44-38-23-20-21-31-27-35-32(28-36(31)38)29-37(41)34(35)25-24-33(40)22-18-6-4-2/h20-21,23,32-35,37,40-41H,3-19,22,24-30H2,1-2H3/t32-,33-,34+,35-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H66O5
Molecular Weight 614.9383
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:07 UTC 2023
Edited
by admin
on Sat Dec 16 08:30:07 UTC 2023
Record UNII
8GJK87S89F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TREPROSTINIL HEXADECYL ESTER
Preferred Name English
TREPROSTINIL PALMITIL
INN  
Official Name English
HEXADECYL 2-(((1R,2R,3AS,9AS)-2-HYDROXY-1-((S)-3-HYDROXYOCTYL)-2,3,3A,4,9,9A-HEXAHYDRO-1H-CYCLOPENTA(B)NAPHTHALEN-5-YL)OXY)ACETATE
Systematic Name English
TREPROSTINIL PALMITIL [USAN]
Common Name English
INS1009
Code English
treprostinil palmitil [INN]
Common Name English
INS-1009
Code English
HEXADECYL TREPROSTINIL
Common Name English
ACETIC ACID, 2-(((1R,2R,3AS,9AS)-2,3,3A,4,9,9A-HEXAHYDRO-2-HYDROXY-1-((3S)- 3-HYDROXYOCTYL)-1H-BENZ(F)INDEN-5-YL)OXY)-, HEXADECYL ESTER
Systematic Name English
Code System Code Type Description
INN
11087
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
CAS
1706528-83-7
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
PUBCHEM
91617675
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
FDA UNII
8GJK87S89F
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
USAN
JK-47
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
SMS_ID
300000018836
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
NCI_THESAURUS
C171934
Created by admin on Sat Dec 16 08:30:07 UTC 2023 , Edited by admin on Sat Dec 16 08:30:07 UTC 2023
PRIMARY
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