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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25N3O2
Molecular Weight 303.3993
Optical Activity ( - )
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vildagliptin

SMILES

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N4CCC[C@H]4C#N

InChI

InChIKey=SYOKIDBDQMKNDQ-XWTIBIIYSA-N
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1

HIDE SMILES / InChI
Molecular Formula C17H25N3O2
Molecular Weight 303.3993
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:31:32 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:32 UTC 2023
Record UNII
I6B4B2U96P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vildagliptin
EMA EPAR   INN   JAN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
VILDAGLIPTIN [USAN]
Common Name English
LAF-237
Code English
2-PYRROLIDINECARBONITRILE, 1-(((3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)AMINO)ACETYL)-, (2S)-
Systematic Name English
EQUA
Brand Name English
VILDAGLIPTIN [EMA EPAR]
Common Name English
NVP-LAF237
Code English
VITAGLIPTIN
Common Name English
VILDAGLIPTIN [MART.]
Common Name English
LAF237
Code English
VILDAGLIPTIN [MI]
Common Name English
(-)-(2S)-1-(((3-HYDROXYTRICYCLO(3.3.1.1(SUP(3,7))DEC-1-YL)AMINO)ACETYL)PYRROLIDINE-2-CARBONITRILE
Systematic Name English
vildagliptin [INN]
Common Name English
GALVUS
Brand Name English
Vildagliptin [WHO-DD]
Common Name English
VILDAGLIPTIN [JAN]
Common Name English
(2S)-1-(((3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)AMINO)ACETYL)PYRROLIDINE-2-CARBONITRILE
Systematic Name English
NVP-LAF 237
Code English
Classification Tree Code System Code
NCI_THESAURUS C98086
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
WHO-ATC A10BD08
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
WHO-VATC QA10BD08
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
WHO-VATC QA10BH02
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
WHO-ATC A10BH02
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
Code System Code Type Description
USAN
RR-71
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
RXCUI
596554
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY RxNorm
DRUG BANK
DB04876
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID80881091
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
FDA UNII
I6B4B2U96P
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL142703
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
CAS
274901-16-5
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
NCI_THESAURUS
C66653
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
DRUG CENTRAL
3642
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
EVMPD
SUB25199
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
INN
8399
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
WIKIPEDIA
VILDAGLIPTIN
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
IUPHAR
6310
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
MESH
C502012
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
MERCK INDEX
m11447
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY Merck Index
SMS_ID
100000089156
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
PUBCHEM
6918537
Created by admin on Fri Dec 15 15:31:32 UTC 2023 , Edited by admin on Fri Dec 15 15:31:32 UTC 2023
PRIMARY
Related Record Type Details
Structure of Vildagliptin
EXCRETED UNCHANGED
FECAL
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
The mean plasma protein binding of vildagliptin in humans was low (9.3%) and also independent of concentration.
BINDING
Structure of Vildagliptin hydrochloride
SALT/SOLVATE -> PARENT
Structure of Vildagliptin
EXCRETED UNCHANGED
URINE
DIPEPTIDYL PEPTIDASE 4 MEMBRANE FORM
TARGET -> INHIBITOR
Related Record Type Details
Structure of 2-((3-HYDROXYADAMANTAN-1-YL)AMINO)ACETIC ACID
METABOLITE -> PARENT
PLASMA
Structure of L-PROLINE, N-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)GLYCYL-
METABOLITE -> PARENT
FECAL
Structure of L-PROLINE, N-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)GLYCYL-
METABOLITE -> PARENT
MAJOR
URINE
Structure of 4-((2-((3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)AMINO)ACETYL)AMINO)BUTANOIC ACID
METABOLITE -> PARENT
URINE
Structure of 2-((3-HYDROXYADAMANTAN-1-YL)AMINO)ACETIC ACID
METABOLITE -> PARENT
FECAL
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
METABOLITE -> PARENT
URINE
Structure of L-PROLINE, N-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)GLYCYL-
METABOLITE -> PARENT
MAJOR
PLASMA
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
METABOLITE -> PARENT
URINE
Structure of 4-((2-((3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)AMINO)ACETYL)AMINO)BUTANOIC ACID
METABOLITE -> PARENT
PLASMA
Structure of 2-((3-HYDROXYADAMANTAN-1-YL)AMINO)ACETIC ACID
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of Vildagliptin
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

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