5-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-.ALPHA.,.ALPHA.-DIMETHYL-1H-INDOLE-2-ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25F3N2O7
Molecular Weight	534.4811
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-.ALPHA.,.ALPHA.-DIMETHYL-1H-INDOLE-2-ACETIC ACID

Structure Search

SMILES

CC(C)(C(O)=O)C1=CC2=C(C=C(F)C(NC(=O)C3(CC3)C4=CC5=C(OC(F)(F)O5)C=C4)=C2)N1C[C@@H](O)CO

InChI

InChIKey=YZMJWDVWMSBXMZ-OAHLLOKOSA-N

InChI=1S/C26H25F3N2O7/c1-24(2,23(35)36)21-8-13-7-17(16(27)10-18(13)31(21)11-15(33)12-32)30-22(34)25(5-6-25)14-3-4-19-20(9-14)38-26(28,29)37-19/h3-4,7-10,15,32-33H,5-6,11-12H2,1-2H3,(H,30,34)(H,35,36)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H25F3N2O7
Molecular Weight	534.4811
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:50:24 UTC 2023` Edited by `admin` on `Sat Dec 16 14:50:24 UTC 2023`
Record UNII	SPY6P23P6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-.ALPHA.,.ALPHA.-DIMETHYL-1H-INDOLE-2-ACETIC ACID

Systematic Name

English

TEZACAFTOR METABOLITE M2

Common Name

English

1H-INDOLE-2-ACETIC ACID, 5-(((1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPYL)CARBONYL)AMINO)-1-((2R)-2,3-DIHYDROXYPROPYL)-6-FLUORO-.ALPHA.,.ALPHA.-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

SPY6P23P6A

Created by admin on Sat Dec 16 14:50:24 UTC 2023 , Edited by admin on Sat Dec 16 14:50:24 UTC 2023

PRIMARY

PUBCHEM

71566166

Created by admin on Sat Dec 16 14:50:24 UTC 2023 , Edited by admin on Sat Dec 16 14:50:24 UTC 2023

PRIMARY

CAS

1432656-98-8

Created by admin on Sat Dec 16 14:50:24 UTC 2023 , Edited by admin on Sat Dec 16 14:50:24 UTC 2023

PRIMARY

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