RODATRISTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27ClF3N5O3
Molecular Weight	561.983
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(O[C@H](C2=CC=C(Cl)C=C2C3=CC=CC=C3)C(F)(F)F)=CC(=N1)N4CCC5(CN[C@@H](C5)C(O)=O)CC4

InChI

InChIKey=ZNSPHKJFQDEABI-NZQKXSOJSA-N

InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H27ClF3N5O3
Molecular Weight	561.983
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:23:16 GMT 2023` Edited by `admin` on `Sat Dec 16 14:23:16 GMT 2023`
Record UNII	91D8378G2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RODATRISTAT

Official Name

English

KAR-5417

Code

English

(3S)-8-(2-AMINO-6-((1R)-1-(5-CHLORO(1,1'-BIPHENYL)-2-YL)-2,2,2-TRIFLUOROETHOXY)-4-PYRIMIDINYL)-2,8-DIAZASPIRO(4.5)DECANE-3-CARBOXYLIC ACID

Systematic Name

English

RODATRISTAT [USAN]

Common Name

English

KAR5417

Code

English

(3S)-8-(2-AMINO-6-((1R)-1-(5-CHLORO(1,1'-BIPHENYL)-2-YL)-2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-4-YL)-2,8-DIAZASPIRO(4.5)DECANE-3-CARBOXYLIC ACID

Systematic Name

English

rodatristat [INN]

Common Name

English

RVT-1201/014

Code

English

2,8-DIAZASPIRO(4.5)DECANE-3-CARBOXYLIC ACID, 8-(2-AMINO-6-((1R)-1-(5-CHLORO(1,1'-BIPHENYL)-2-YL)-2,2,2-TRIFLUOROETHOXY)-4-PYRIMIDINYL)-, (3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

91D8378G2V