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Silodosin β-D-glucuronide-d4

CAT: 0804-HY-158238SSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-158238SSize:1 Each
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Description
Silodosin glucoronide-d4 is deuterium labeled Silodosin glucoronide[1].
CAS Number
2851016-14-1
Product Name Alternative
Silodosin glucuronide-d4
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OCCCN2CCC3=C2C(C(N)=O)=CC(C[C@H](NC([2H])([2H])C([2H])(OC4=CC=CC=C4OCC(F)(F)F)[2H])C)=C3)O1)O
Molecular Formula
C31H36D4F3N3O10
Molecular Weight
675.68
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Silodosin Glucuronide-D4
CAS Number2851016-14-1
PubChem CID119090947
IUPAC Name(2S,3S,4S,5R,6R)-6-[3-[7-carbamoyl-5-[(2R)-2-[[1,1,2,2-tetradeuterio-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-2,3-dihydroindol-1-yl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC31H40F3N3O10
Molecular Weight675.7
XLogP0
Topological Polar Surface Area193
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity1010
SMILES
[2H]C([2H])(C([2H])([2H])OC1=CC=CC=C1OCC(F)(F)F)N[C@H](C)CC2=CC3=C(C(=C2)C(=O)N)N(CC3)CCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C31H40F3N3O10/c1-17(36-8-12-44-21-5-2-3-6-22(21)46-16-31(32,33)34)13-18-14-19-7-10-37(23(19)20(15-18)28(35)41)9-4-11-45-30-26(40)24(38)25(39)27(47-30)29(42)43/h2-3,5-6,14-15,17,24-27,30,36,38-40H,4,7-13,16H2,1H3,(H2,35,41)(H,42,43)/t17-,24+,25+,26-,27+,30-/m1/s1/i8D2,12D2
InChIKey
ZSZSAUNNNUTBDH-IQOCOFPESA-N
Chemical Structure
2D Structure
2D structure of Silodosin Glucuronide-D4
CAS: 2851016-14-1
CID: 119090947
Formula: C31H40F3N3O10
MW: 675.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.7
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count16
Exact Mass675.29168595
Monoisotopic Mass675.29168595
Topological Polar Surface Area193 Ų
Heavy Atom Count47
Formal Charge0
Complexity1010
Isotope Atom Count4
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-30464Silodosin-Beta-D-Glucuronide-d4
AR-S09596-01Silodosin-D-Glucuronide
TRC-S465013-5MGSilodosin-d4 beta-D-Glucuronide Sodium Salt
CS-SN-00073Silodosin-D4 Glucuronide Lithium Salt
AR-S10360-01Silodosin-D-Glucuronide Ditrifluoroacetate
RM-S120402-01Silodosin Glucuronide
AR-S01499-01Silodosin-D-Glucuronide Na Salt
MS180506-01Silodosin O-beta-D-glucuronide
sc-472747Silodosin β-D-Glucuronide Sodium Salt
RM-S120401-01Silodosin-D4

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