TROPIFEXOR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H25F4N3O5S
Molecular Weight	603.585
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC(F)=C2N=C(SC2=C1)N3[C@H]4CC[C@@H]3C[C@@H](C4)OCC5=C(ON=C5C6=C(OC(F)(F)F)C=CC=C6)C7CC7

InChI

InChIKey=VYLOOGHLKSNNEK-PIIMJCKOSA-N

InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+

HIDE SMILES / InChI

Molecular Formula	C29H25F4N3O5S
Molecular Weight	603.585
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:33:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:09 GMT 2023`
Record UNII	NMZ08KM76Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROPIFEXOR

Official Name

English

LJN452

Code

English

LJN-452

Code

English

2-((1R,3R,5S)-3-((5-CYCLOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)-1,2-OXAZOL-4-YL)METHOXY)-8- AZABICYCLO(3.2.1)OCTAN-8-YL)-4-FLUORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Systematic Name

English

Tropifexor [WHO-DD]

Common Name

English

NVP-LJN452-NXA

Code

English

6-BENZOTHIAZOLECARBOXYLIC ACID, 2-((3-ENDO)-3-((5-CYCLOPROPYL-3-(2- (TRIFLUOROMETHOXY)PHENYL)-4-ISOXAZOLYL)METHOXY)-8-AZABICYCLO(3.2.1)OCT-8- YL)-4-FLUORO-

Systematic Name

English

tropifexor [INN]

Common Name

English

TROPIFEXOR [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78276