1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(8-FLUORO-1,2,4,5-TETRAHYDRO-2-HYDROXY-4-(HYDROXYMETHYL)-1,1-DIMETHYL(1,4)OXAZEPINO(4,5-A)INDOL-9-YL)CYCLOPROPANECARBOXAMIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C26H25F3N2O6
Molecular Weight	518.4817
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(8-FLUORO-1,2,4,5-TETRAHYDRO-2-HYDROXY-4-(HYDROXYMETHYL)-1,1-DIMETHYL(1,4)OXAZEPINO(4,5-A)INDOL-9-YL)CYCLOPROPANECARBOXAMIDE

Structure Search

SMILES

CC1(C)C(O)OC(CO)CN2C3=CC(F)=C(NC(=O)C4(CC4)C5=CC6=C(OC(F)(F)O6)C=C5)C=C3C=C12

InChI

InChIKey=BMKQCBWIEAQYOI-UHFFFAOYSA-N

InChI=1S/C26H25F3N2O6/c1-24(2)21-8-13-7-17(16(27)10-18(13)31(21)11-15(12-32)35-23(24)34)30-22(33)25(5-6-25)14-3-4-19-20(9-14)37-26(28,29)36-19/h3-4,7-10,15,23,32,34H,5-6,11-12H2,1-2H3,(H,30,33)

HIDE SMILES / InChI

Molecular Formula	C26H25F3N2O6
Molecular Weight	518.4817
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:42:33 GMT 2025` Edited by `admin` on `Tue Apr 01 22:42:33 GMT 2025`
Record UNII	W7IY3YL3Y6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEZACAFTOR METABOLITE M1

Preferred Name

English

1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(8-FLUORO-1,2,4,5-TETRAHYDRO-2-HYDROXY-4-(HYDROXYMETHYL)-1,1-DIMETHYL(1,4)OXAZEPINO(4,5-A)INDOL-9-YL)CYCLOPROPANECARBOXAMIDE

Common Name

English

CYCLOPROPANECARBOXAMIDE, 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-N-(8-FLUORO-1,2,4,5-TETRAHYDRO-2-HYDROXY-4-(HYDROXYMETHYL)-1,1-DIMETHYL(1,4)OXAZEPINO(4,5-A)INDOL-9-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

W7IY3YL3Y6

Created by admin on Tue Apr 01 22:42:33 GMT 2025 , Edited by admin on Tue Apr 01 22:42:33 GMT 2025

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PUBCHEM

71566164

Created by admin on Tue Apr 01 22:42:33 GMT 2025 , Edited by admin on Tue Apr 01 22:42:33 GMT 2025

PRIMARY

CAS

1432657-04-9

Created by admin on Tue Apr 01 22:42:33 GMT 2025 , Edited by admin on Tue Apr 01 22:42:33 GMT 2025

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