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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H30O8
Molecular Weight 506.5437
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENRASENTAN

SMILES

CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=CC=C(OC)C=C3OCCO)C(O)=O)C4=CC=C5OCOC5=C4

InChI

InChIKey=GLCKXJLCYIJMRB-UPRLRBBYSA-N
InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H30O8
Molecular Weight 506.5437
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:11:23 UTC 2023
Edited
by admin
on Sat Dec 16 17:11:23 UTC 2023
Record UNII
QG16H8A6ZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENRASENTAN
INN  
INN  
Official Name English
SB-217242
Code English
enrasentan [INN]
Common Name English
(1S,2R,3S)-3-(2-(2-HYDROXYETHOXY)-4-METHOXYPHENYL)-1-(3,4-(METHYLENEDIOXY)PHENYL)-5-PROPOXY-2-INDANCARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
DRUG BANK
DB06460
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID50168260
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
SMS_ID
300000034155
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
INN
7784
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
FDA UNII
QG16H8A6ZH
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
CAS
167256-08-8
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
MESH
C098288
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
PUBCHEM
178103
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
CHEBI
156258
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL431651
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
NCI_THESAURUS
C87727
Created by admin on Sat Dec 16 17:11:24 UTC 2023 , Edited by admin on Sat Dec 16 17:11:24 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY