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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22Cl2F3NO3
Molecular Weight 488.327
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUNCACIGUAT

SMILES

[H][C@@]([C@@H](C)C(F)(F)F)(C(=O)NC1=CC(=CC=C1Cl)[C@@H](CC(O)=O)C2CC2)C3=CC=C(Cl)C=C3

InChI

InChIKey=NCRMKIWHFXSBGZ-CNBXIYLPSA-N
InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H22Cl2F3NO3
Molecular Weight 488.327
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 14:56:54 UTC 2023
Edited
by admin
on Sat Dec 16 14:56:54 UTC 2023
Record UNII
5EZ01YDT5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUNCACIGUAT
INN  
Official Name English
BENZENEPROPANOIC ACID, 4-CHLORO-3-(((2S,3R)-2-(4-CHLOROPHENYL)-4,4,4-TRIFLUORO-3-METHYL-1-OXOBUTYL)AMINO)-.BETA.-CYCLOPROPYL-, (.BETA.S)-
Systematic Name English
runcaciguat [INN]
Common Name English
(3S)-3-(4-CHLORO-3-(((2S,3R)-2-(4-CHLOROPHENYL-4,4,4- TRIFLUORO-3-METHYLBUTANOYL)AMINO)PHENYL)-3- CYCLOPROPYLPROPANOIC ACID
Systematic Name English
Code System Code Type Description
SMS_ID
300000005917
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
INN
11001
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
PUBCHEM
134440946
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
FDA UNII
5EZ01YDT5S
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
CAS
1402936-61-1
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
NCI_THESAURUS
C166842
Created by admin on Sat Dec 16 14:56:54 UTC 2023 , Edited by admin on Sat Dec 16 14:56:54 UTC 2023
PRIMARY
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