BEXIRESTRANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H26F3NO2
Molecular Weight	477.5174
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C([C@@H](OC2=CC(O)=CC=C12)C3=CC=C(\C=C\CN4CC(CF)C4)C=C3)C5=CC(F)=CC(F)=C5

InChI

InChIKey=DVZLOPUYTKPWHJ-MPWQXXDYSA-N

InChI=1S/C29H26F3NO2/c1-18-26-9-8-25(34)14-27(26)35-29(28(18)22-11-23(31)13-24(32)12-22)21-6-4-19(5-7-21)3-2-10-33-16-20(15-30)17-33/h2-9,11-14,20,29,34H,10,15-17H2,1H3/b3-2+/t29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H26F3NO2
Molecular Weight	477.5174
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:25:57 GMT 2023` Edited by `admin` on `Sat Dec 16 15:25:57 GMT 2023`
Record UNII	BB35H436NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEXIRESTRANT

Official Name

English

bexirestrant [INN]

Common Name

English

2H-1-BENZOPYRAN-7-OL, 3-(3,5-DIFLUOROPHENYL)-2-(4-((1E)-3-(3-(FLUOROMETHYL)-1-AZETIDINYL)-1-PROPEN-1-YL)PHENYL)-4-METHYL-, (2S)-

Systematic Name

English

(2S)-3-(3,5-DIFLUOROPHENYL)-2-(4-((E)-3-(3-(FLUOROMETHYL)AZETIDIN-1-YL)PROP-1-ENYL)PHENYL)-4-METHYL-2H-CHROMEN-7-OL

Systematic Name

English

Code System Code Type Description

FDA UNII

BB35H436NB