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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F6O7
Molecular Weight 434.2845
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL

SMILES

C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChIKey=PNEZRZACBWQPGV-ZLVLKQIISA-N
InChI=1S/C16H16F6O7/c1-5(28-14-11(25)9(23)10(24)12(29-14)13(26)27)6-2-7(15(17,18)19)4-8(3-6)16(20,21)22/h2-5,9-12,14,23-25H,1H3,(H,26,27)/t5-,9+,10+,11-,12+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16F6O7
Molecular Weight 434.2845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:25:59 GMT 2023
Edited
by admin
on Sat Dec 16 15:25:59 GMT 2023
Record UNII
Y3ATL8P7YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL
Systematic Name English
CASOPITANT METABOLITE M44
Common Name English
GSK1735004
Common Name English
Code System Code Type Description
CAS
1809203-57-3
Created by admin on Sat Dec 16 15:25:59 GMT 2023 , Edited by admin on Sat Dec 16 15:25:59 GMT 2023
PRIMARY
PUBCHEM
156028113
Created by admin on Sat Dec 16 15:25:59 GMT 2023 , Edited by admin on Sat Dec 16 15:25:59 GMT 2023
PRIMARY
FDA UNII
Y3ATL8P7YR
Created by admin on Sat Dec 16 15:25:59 GMT 2023 , Edited by admin on Sat Dec 16 15:25:59 GMT 2023
PRIMARY
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