U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25Cl2FN2O2
Molecular Weight 475.383
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Taragarestrant

SMILES

C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(C)(C)F)C4=C(Cl)C=C(\C=C\C(O)=O)C=C4Cl

InChI

InChIKey=PSJRZBBUWGIUPM-BBNFHIFMSA-N
InChI=1S/C25H25Cl2FN2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H25Cl2FN2O2
Molecular Weight 475.383
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:11:30 GMT 2025
Edited
by admin
on Tue Apr 01 22:11:30 GMT 2025
Record UNII
KD4HIM135V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Taragarestrant
INN  
Official Name English
D-0502
Preferred Name English
2-PROPENOIC ACID, 3-(3,5-DICHLORO-4-((1R,3R)-2-(2-FLUORO-2-METHYLPROPYL)-2,3,4,9-TETRAHYDRO-3-METHYL-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)-, (2E)-
Common Name English
taragarestrant [INN]
Common Name English
D 0502 [WHO-DD]
Common Name English
D0502
Code English
(2E)-3-{3,5-dichloro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1Hpyrido[3,4-b]indol-1-yl]phenyl}prop-2-enoic acid
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C156735
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
CAS
2118899-51-5
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
FDA UNII
KD4HIM135V
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
PUBCHEM
130330722
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
SMS_ID
300000046269
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
INN
12092
Created by admin on Tue Apr 01 22:11:30 GMT 2025 , Edited by admin on Tue Apr 01 22:11:30 GMT 2025
PRIMARY
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