Products for Research Use Only
RegisterLogin

Saxagliptin O-Beta-D-glucuronide

CAT: 0572-TRC-S143510-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-S143510-0.5MGSize:0.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1155849-58-3
Synonyms
(2S,3S,5R,6S)-6-(((1R,3S,5R,7S)-3-((S)-1-Amino-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)adamantan-1-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
N[C@H](C(=O)N1[C@@H](C[C@@H]2C[C@H]12)C#N)[C@@]34C[C@@H]5C[C@@H](C[C@@](C5)(C3)O[C@H]6O[C@H]([C@H](O)C(O)[C@@H]6O)C(=O)O)C4
Molecular Formula
C24H33N3O8
Molecular Weight
491.53
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Saxagliptin O-Beta-D-glucuronide
CAS Number1155849-58-3
PubChem CID169446274
IUPAC Name(2R,3R,5S,6R)-6-[[(5S,7R)-3-[(1S)-1-amino-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1-adamantyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC24H33N3O8
Molecular Weight491.5
XLogP-2.9
Topological Polar Surface Area187
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity967
SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O[C@@H]6[C@H](C([C@H]([C@@H](O6)C(=O)O)O)O)O)N
InChI
InChI=1S/C24H33N3O8/c25-8-13-2-12-3-14(12)27(13)20(31)19(26)23-4-10-1-11(5-23)7-24(6-10,9-23)35-22-17(30)15(28)16(29)18(34-22)21(32)33/h10-19,22,28-30H,1-7,9,26H2,(H,32,33)/t10-,11+,12-,13+,14+,15?,16-,17+,18-,19-,22-,23?,24?/m1/s1
InChIKey
IWDFVSVSIHFEPM-YSACMFBBSA-N
Chemical Structure
2D Structure
2D structure of Saxagliptin O-Beta-D-glucuronide
CAS: 1155849-58-3
CID: 169446274
Formula: C24H33N3O8
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.5
XLogP3-2.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass491.22676502
Monoisotopic Mass491.22676502
Topological Polar Surface Area187 Ų
Heavy Atom Count35
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-T413050-100MGThymol O-(beta)-D-Glucuronide
TRC-C782000-5MGo-Cresol Beta-D-Glucuronide
TRC-D299500-10MGDextrorphan O-Beta-D-Glucuronide
D528810Dolutegravir O-Beta-D-Glucuronide
TRC-L469535-100MGLopinavir O-Beta-D-Glucuronide
TRC-T413050-10MGThymol O-(beta)-D-Glucuronide
TRC-E933125-25MGEtofenamate O-beta-D-Glucuronide
TRC-C050105-10MGCabotegravir O-Beta-D-Glucuronide
TRC-C050105-1MGCabotegravir O-Beta-D-Glucuronide
TRC-O703010-250MGOspemifene O-beta-D-Glucuronide

Alternative Products

CatalogName
166487Saxagliptin O-β-D-glucuronide
sc-473027Saxagliptin O-Sulfate
465889Saxagliptin Triacetyl-Ο-β-Glucuronide Methyl Ester
465887-01Saxagliptin N-Carboxybenzyl O-Sulfate
CS-T-57529Methaqualone-beta-O-beta-D-Glucuronide
MBS6084466-01Fenirofibrate O-beta-D-Glucuronide
MBS6090702-01Piroxicam O-beta-D-Glucuronide
MBS6104772-01Bicalutamide O-beta-D-Glucuronide
AR-N01180-01Nebivolol O-Beta-D-Glucuronide
CS-O-30514Tapentadol-O-beta-D-Glucuronide

Popular Products