U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of RODATRISTAT

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

Approval Year

Name Type Language
RODATRISTAT
USAN   INN  
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
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
NCI_THESAURUS
C171780
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
SMS_ID
300000000360
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
INN
10812
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
USAN
FG-210
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
PUBCHEM
117947705
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY
CAS
1673568-73-4
Created by admin on Sat Dec 16 14:23:16 GMT 2023 , Edited by admin on Sat Dec 16 14:23:16 GMT 2023
PRIMARY