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Details

Stereochemistry MIXED
Molecular Formula C23H33N3O8
Molecular Weight 479.5234
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-((2-((2S)-2-CYANO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)TRICYCLO(3.3.1.13,7)DEC-1-YL

SMILES

O[C@@H]1[C@@H](O)[C@H](OC23CC4CC(CC(C4)(C2)NCC(=O)N5CCC[C@H]5C#N)C3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=PSIDBGKCTWXOHS-VBUQDNKCSA-N
InChI=1S/C23H33N3O8/c24-9-14-2-1-3-26(14)15(27)10-25-22-5-12-4-13(6-22)8-23(7-12,11-22)34-21-18(30)16(28)17(29)19(33-21)20(31)32/h12-14,16-19,21,25,28-30H,1-8,10-11H2,(H,31,32)/t12?,13?,14-,16-,17-,18+,19-,21-,22?,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H33N3O8
Molecular Weight 479.5234
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 6 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:32:22 UTC 2023
Edited
by admin
on Thu Jul 06 21:32:22 UTC 2023
Record UNII
4EBB929B32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-((2-((2S)-2-CYANO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)TRICYCLO(3.3.1.13,7)DEC-1-YL
Systematic Name English
3-((2-((2S)-2-CYANO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)TRICYCLO(3.3.1.13,7)DEC-1-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
VILDAGLIPTIN METABOLITE M20.2
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00858563
Created by admin on Thu Jul 06 21:32:22 UTC 2023 , Edited by admin on Thu Jul 06 21:32:22 UTC 2023
PRIMARY
FDA UNII
4EBB929B32
Created by admin on Thu Jul 06 21:32:22 UTC 2023 , Edited by admin on Thu Jul 06 21:32:22 UTC 2023
PRIMARY
CAS
1147403-03-9
Created by admin on Thu Jul 06 21:32:22 UTC 2023 , Edited by admin on Thu Jul 06 21:32:22 UTC 2023
PRIMARY
PUBCHEM
59525129
Created by admin on Thu Jul 06 21:32:22 UTC 2023 , Edited by admin on Thu Jul 06 21:32:22 UTC 2023
PRIMARY
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