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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27F3N2O9
Molecular Weight 556.4851
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((((2S,3S)-6-OXO-2-PHENYL-3-PIPERIDINYL)AMINO)METHYL)-4-(TRIFLUOROMETHOXY)PHENYL

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(OC(F)(F)F)C=C2CN[C@H]3CCC(=O)N[C@H]3C4=CC=CC=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=UISIXNZJPIKOEN-OKFKSIBZSA-N
InChI=1S/C25H27F3N2O9/c26-25(27,28)39-14-6-8-16(37-24-21(34)19(32)20(33)22(38-24)23(35)36)13(10-14)11-29-15-7-9-17(31)30-18(15)12-4-2-1-3-5-12/h1-6,8,10,15,18-22,24,29,32-34H,7,9,11H2,(H,30,31)(H,35,36)/t15-,18-,19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27F3N2O9
Molecular Weight 556.4851
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:56 GMT 2023
Record UNII
GXF18XW0VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((((2S,3S)-6-OXO-2-PHENYL-3-PIPERIDINYL)AMINO)METHYL)-4-(TRIFLUOROMETHOXY)PHENYL
Systematic Name English
CP-122721 METABOLITE M19
Common Name English
Code System Code Type Description
CAS
944942-44-3
Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023
PRIMARY
PUBCHEM
154572892
Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023
PRIMARY
FDA UNII
GXF18XW0VP
Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID701025036
Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023
PRIMARY
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