RUNCACIGUAT

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 Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 14:56:54 GMT 2023`
Record UNII	5EZ01YDT5S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUNCACIGUAT

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