Taragarestrant

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 Search

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 `Sun Dec 18 13:57:54 UTC 2022` Edited by `admin` on `Sun Dec 18 13:57:54 UTC 2022`
Record UNII	KD4HIM135V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Taragarestrant

Official 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

D-0502

Code

English

Code System Code Type Description

NCI_THESAURUS

C156735