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Details

Stereochemistry UNKNOWN
Molecular Formula C26H26F3N2O9P
Molecular Weight 598.4626
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (9-(1-(2,2-DIFLUOROBENZO(D)(1,3)DIOXOL-5-YL)CYCLOPROPANE-1-CARBOXAMIDO)-8-FLUORO-2-HYDROXY-1,1-DIMETHYL-1,2,4,5-TETRAHYDRO-(1,4)OXAZEPINO(4,5-A)INDOL-4-YL)METHYL DIHYDROGEN PHOSPHATE

SMILES

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

InChI

InChIKey=FDDCVVRYKDCOQL-UHFFFAOYSA-N
InChI=1S/C26H26F3N2O9P/c1-24(2)21-8-13-7-17(16(27)10-18(13)31(21)11-15(38-23(24)33)12-37-41(34,35)36)30-22(32)25(5-6-25)14-3-4-19-20(9-14)40-26(28,29)39-19/h3-4,7-10,15,23,33H,5-6,11-12H2,1-2H3,(H,30,32)(H2,34,35,36)

HIDE SMILES / InChI

Molecular Formula C26H26F3N2O9P
Molecular Weight 598.4626
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 13:42:26 UTC 2021
Edited
by admin
on Sat Jun 26 13:42:26 UTC 2021
Record UNII
7SLE62FMZ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(9-(1-(2,2-DIFLUOROBENZO(D)(1,3)DIOXOL-5-YL)CYCLOPROPANE-1-CARBOXAMIDO)-8-FLUORO-2-HYDROXY-1,1-DIMETHYL-1,2,4,5-TETRAHYDRO-(1,4)OXAZEPINO(4,5-A)INDOL-4-YL)METHYL DIHYDROGEN PHOSPHATE
Systematic Name English
TEZACAFTOR METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
7SLE62FMZ6
Created by admin on Sat Jun 26 13:42:26 UTC 2021 , Edited by admin on Sat Jun 26 13:42:26 UTC 2021
PRIMARY
PUBCHEM
134819879
Created by admin on Sat Jun 26 13:42:26 UTC 2021 , Edited by admin on Sat Jun 26 13:42:26 UTC 2021
PRIMARY
Related Record Type Details
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