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Hydroxy Torsemide-d7

CAT: 0804-HY-132466S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132466S-01Size:1 mg
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Description
Hydroxy Torsemide-d7 is the deuterium labeled Hydroxy Torsemide[1].
CAS Number
1329613-35-5
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
S(NC(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])=O)(=O)(=O)C=1C(NC2=CC(CO)=CC=C2)=CC=NC1
Molecular Formula
C16H13D7N4O4S
Molecular Weight
371.46
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Hydroxy Torsemide-d7
CAS Number1329613-35-5
PubChem CID71749383
IUPAC Name1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-3-[[4-[3-(hydroxymethyl)anilino]-3-pyridinyl]sulfonyl]urea
Molecular FormulaC16H20N4O4S
Molecular Weight371.5
XLogP1.4
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity535
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)CO
InChI
InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)/i1D3,2D3,11D
InChIKey
WCYVLAMJCQZUCR-UENXPIBQSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Torsemide-d7
CAS: 1329613-35-5
CID: 71749383
Formula: C16H20N4O4S
MW: 371.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.5
XLogP31.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass371.16446353
Monoisotopic Mass371.16446353
Topological Polar Surface Area129 Ų
Heavy Atom Count25
Formal Charge0
Complexity535
Isotope Atom Count7
Defined Atom Stereocenter Count0
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
TRC-H969982-10MGHydroxy Torsemide-d7
TRC-H969987-100MG4’-Hydroxy Torsemide-d7
sc-4888364′-Hydroxy torsemide-d7
sc-394035Hydroxy Torsemide
FH24146-014'-Hydroxy torsemide
sc-3962554′-Hydroxy Torsemide
TRC-H969985-100MG4’-Hydroxy Torsemide
CS-O-1116715-Hydroxy Lubiprostone-d7
01356720α-Hydroxy Cholesterol-d7
MBS6067112-014beta-Hydroxy Cholesterol-d7

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