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Details

Stereochemistry ACHIRAL
Molecular Formula C36H39NO5
Molecular Weight 565.6986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINACIGUAT

SMILES

OC(=O)CCCCN(CCC1=C(OCC2=CC=C(CCC3=CC=CC=C3)C=C2)C=CC=C1)CC4=CC=C(C=C4)C(O)=O

InChI

InChIKey=WPYWMXNXEZFMAK-UHFFFAOYSA-N
InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)

HIDE SMILES / InChI

Molecular Formula C36H39NO5
Molecular Weight 565.6986
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:12:35 UTC 2023
Edited
by admin
on Fri Dec 15 16:12:35 UTC 2023
Record UNII
59K0Y58UAD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINACIGUAT
INN   JAN  
INN  
Official Name English
CINACIGUAT [JAN]
Common Name English
cinaciguat [INN]
Common Name English
BAY 58-2667
Code English
Cinaciguat [WHO-DD]
Common Name English
BAY-58-2667
Systematic Name English
4-(((4-CARBOXYBUTYL)(2-(2-((4-(2-PHENYLETHYL)PHENYL)METHOXY)PHENYL)ETHYL)AMINO)METHYL)BENZOIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C87280
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
MESH
C480588
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
FDA UNII
59K0Y58UAD
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
SMS_ID
100000175111
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
CAS
329773-35-5
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
CHEBI
142433
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
PUBCHEM
9808022
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
INN
8856
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID40954614
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
WIKIPEDIA
CINACIGUAT
Created by admin on Fri Dec 15 16:12:35 UTC 2023 , Edited by admin on Fri Dec 15 16:12:35 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
Related Record Type Details
ACTIVE MOIETY