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

Details

Stereochemistry RACEMIC
Molecular Formula C22H22N2O6
Molecular Weight 410.4199
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARUSENTAN, (±)-

SMILES

COC1=CC(OC)=NC(OC(C(O)=O)C(OC)(C2=CC=CC=C2)C3=CC=CC=C3)=N1

InChI

InChIKey=FEJVSJIALLTFRP-UHFFFAOYSA-N
InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)

HIDE SMILES / InChI
Molecular Formula C22H22N2O6
Molecular Weight 410.4199
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Darusentan is a mixture of two isomers R and S, the last enantiomer is responsible for the therapeutic properties.

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Darusentan is a potent inhibitor of endothelin signaling and function in both large and small arteries.
2010 Aug

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:00:04 GMT 2023
Edited
by admin
on Sat Dec 16 10:00:04 GMT 2023
Record UNII
UAG0ANS9HZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DARUSENTAN, (±)-
Common Name English
DARUSENTAN (±)-FORM [MI]
Common Name English
BENZENEPROPANOIC ACID, .ALPHA.-((4,6-DIMETHOXY-2-PYRIMIDINYL)OXY)-.BETA.-METHOXY-.BETA.-PHENYL-
Systematic Name English
DARUSENTAN, (RS)-
Common Name English
Code System Code Type Description
PUBCHEM
9953358
Created by admin on Sat Dec 16 10:00:04 GMT 2023 , Edited by admin on Sat Dec 16 10:00:04 GMT 2023
PRIMARY
CAS
178306-46-2
Created by admin on Sat Dec 16 10:00:04 GMT 2023 , Edited by admin on Sat Dec 16 10:00:04 GMT 2023
PRIMARY
MERCK INDEX
m4100
Created by admin on Sat Dec 16 10:00:04 GMT 2023 , Edited by admin on Sat Dec 16 10:00:04 GMT 2023
PRIMARY Merck Index
FDA UNII
UAG0ANS9HZ
Created by admin on Sat Dec 16 10:00:04 GMT 2023 , Edited by admin on Sat Dec 16 10:00:04 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966