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Vildagliptin Lactam

CAT: 0572-TRC-V305025-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V305025-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1789703-36-1
Synonyms
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-; Hexahydro-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)pyrrolo[1,2-a]pyrazine-1,4-dione; 2-(3-Hydroxyadamantan-1-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC12CC3CC(C1)CC(C3)(C2)N4CC(=O)N5CCCC5C4=O
Molecular Formula
C17 H24 N2 O3
Molecular Weight
304.38
InChI
InChI=1S/C17H24N2O3/c20-14-9-19(15(21)13-2-1-3-18(13)14)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-13,22H,1-10H2
Additionnal Information
IUPAC name: 2-(3-hydroxy-1-adamantyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Vildagliptin Lactam
CAS Number1789703-36-1
PubChem CID141398156
IUPAC Name2-(3-hydroxy-1-adamantyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
Molecular FormulaC17H24N2O3
Molecular Weight304.4
XLogP0.8
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity546
SMILES
C1CC2C(=O)N(CC(=O)N2C1)C34CC5CC(C3)CC(C5)(C4)O
InChI
InChI=1S/C17H24N2O3/c20-14-9-19(15(21)13-2-1-3-18(13)14)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-13,22H,1-10H2
InChIKey
XPKCFFJRILBMTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vildagliptin Lactam
CAS: 1789703-36-1
CID: 141398156
Formula: C17H24N2O3
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass304.17869263
Monoisotopic Mass304.17869263
Topological Polar Surface Area60.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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