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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22F4N2O6S
Molecular Weight 470.436
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,2-Trifluoro-1-(hydroxymethyl)ethyl 4-[(4-fluorophenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate, (1R)-

SMILES

OC[C@@H](OC(=O)N1CCC2(CC1)CN(CCO2)S(=O)(=O)C3=CC=C(F)C=C3)C(F)(F)F

InChI

InChIKey=XOSZQQFOCRSOFU-OAHLLOKOSA-N
InChI=1S/C18H22F4N2O6S/c19-13-1-3-14(4-2-13)31(27,28)24-9-10-29-17(12-24)5-7-23(8-6-17)16(26)30-15(11-25)18(20,21)22/h1-4,15,25H,5-12H2/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22F4N2O6S
Molecular Weight 470.436
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 Tue Apr 01 22:15:14 GMT 2025
Edited
by admin
on Tue Apr 01 22:15:14 GMT 2025
Record UNII
TF33B4CY36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,2-Trifluoro-1-(hydroxymethyl)ethyl 4-[(4-fluorophenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate, (1R)-
Systematic Name English
(1R)-2,2,2-Trifluoro-1-(hydroxymethyl)ethyl 4-[(4-fluorophenyl)sulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
Preferred Name English
Code System Code Type Description
FDA UNII
TF33B4CY36
Created by admin on Tue Apr 01 22:15:14 GMT 2025 , Edited by admin on Tue Apr 01 22:15:14 GMT 2025
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CAS
2075629-90-0
Created by admin on Tue Apr 01 22:15:14 GMT 2025 , Edited by admin on Tue Apr 01 22:15:14 GMT 2025
PRIMARY
PUBCHEM
126502765
Created by admin on Tue Apr 01 22:15:14 GMT 2025 , Edited by admin on Tue Apr 01 22:15:14 GMT 2025
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Related Record Type Details
TARGET -> INHIBITOR