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Details

Stereochemistry UNKNOWN
Molecular Formula C26H25F3N2O6
Molecular Weight 518.4827
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

SMILES

CC1(C)c2cc3cc(c(cc3n2CC(CO)OC1O)F)NC(=O)C4(CC4)c5ccc6c(c5)OC(F)(F)O6

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 518.4827
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 Sat Jun 26 15:35:41 UTC 2021
Edited
by admin
on Sat Jun 26 15:35:41 UTC 2021
Record UNII
W7IY3YL3Y6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
TEZACAFTOR METABOLITE M1
Common Name English
Code System Code Type Description
FDA UNII
W7IY3YL3Y6
Created by admin on Sat Jun 26 15:35:41 UTC 2021 , Edited by admin on Sat Jun 26 15:35:41 UTC 2021
PRIMARY
PUBCHEM
71566164
Created by admin on Sat Jun 26 15:35:41 UTC 2021 , Edited by admin on Sat Jun 26 15:35:41 UTC 2021
PRIMARY
CAS
1432657-04-9
Created by admin on Sat Jun 26 15:35:41 UTC 2021 , Edited by admin on Sat Jun 26 15:35:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE