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Dehydroindapamide-d3

CAT: 0804-HY-144470S-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-144470S-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dehydroindapamide-d3 is the deuterium labeled Dehydroindapamide. Dehydroindapamide is the indole form of Indapamide (HY-B0259). Dehydroindapamide standard can be used to quantitatively measure the Indapamide turnover rate by CYP3A4, which was approximately 10-fold higher than that of Indoline (HY-Y0788), and slightly enhanced affinity for CYP3A4[1].
CAS Number
1185057-48-0
UNSPSC
12352005
Target
Isotope-Labeled Compounds; Potassium Channel
Related Pathways
Membrane Transporter/Ion Channel; Others
Field of Research
Others
Smiles
O=C(C1=CC(S(N)(=O)=O)=C(C=C1)Cl)NN2C3=CC=CC=C3C=C2C([2H])([2H])[2H]
Molecular Formula
C16H11D3ClN3O3S
Molecular Weight
366.84
References & Citations
[1]Sun H, et al. Dehydrogenation of the indoline-containing drug 4-chloro-N- (2-methyl-1-indolinyl) -3-sulfamoylbenzamide (indapamide) by CYP3A4: correlation with in silico predictions. Drug Metab Dispos. 2009 Mar;37 (3) :672-84.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Dehydro Indapamide-d3
CAS Number1185057-48-0
PubChem CID46780586
IUPAC Name4-chloro-3-sulfamoyl-N-[2-(trideuteriomethyl)indol-1-yl]benzamide
Molecular FormulaC16H14ClN3O3S
Molecular Weight366.8
XLogP2.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity580
SMILES
[2H]C([2H])([2H])C1=CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)/i1D3
InChIKey
LWCDXWWLUHMMJI-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Dehydro Indapamide-d3
CAS: 1185057-48-0
CID: 46780586
Formula: C16H14ClN3O3S
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass366.0632704
Monoisotopic Mass366.0632704
Topological Polar Surface Area103 Ų
Heavy Atom Count24
Formal Charge0
Complexity580
Isotope Atom Count3
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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