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Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N4O5S.H2O
Molecular Weight 554.658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDONENTAN

SMILES

O.CN(CC1=CC(=CC=C1C2=C(C=CC=C2)S(=O)(=O)NC3=NOC(C)=C3C)C4=NC=CO4)C(=O)CC(C)(C)C

InChI

InChIKey=VRUJTPHFVRXEPB-UHFFFAOYSA-N
InChI=1S/C28H32N4O5S.H2O/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5;/h7-15H,16-17H2,1-6H3,(H,30,31);1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
EDONENTAN
USAN  
USAN  
Official Name English
BUTANAMIDE, N-((2'-(((4,5-DIMETHYL-3-ISOXAZOLYL) AMINO)SULFONYL)-4-(2-OXAZOLYL) (1,1'-BIPHENYL)-2-YL)METHYL)-N,3,3-TRIMETHYL-, MONOHYDRATE
Common Name English
EDONENTAN [USAN]
Common Name English
N-[2-[2-[(4,5-Dimethylisoxazol-3-yl)sulfamoyl]phenyl]-5-(oxazol-2-yl)benzyl]-N,3,3-trimethylbutanamide, monohydrate
Systematic Name English
BMS-207940-02
Code English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
Code System Code Type Description
PUBCHEM
156689
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
USAN
MM-85
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
CAS
264609-13-4
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL383581
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
NCI_THESAURUS
C77074
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
SMS_ID
300000034132
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID60181061
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
FDA UNII
2CCC8CH216
Created by admin on Fri Dec 15 15:29:52 UTC 2023 , Edited by admin on Fri Dec 15 15:29:52 UTC 2023
PRIMARY
SUBSTANCE RECORD
Structure of EDONENTAN
NIH
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