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Chlorothiazide-13C,15N2

CAT: 0804-HY-B0224S-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0224S-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Chlorothiazide-13C,15N2 is the 13C and 15N labeled Chlorothiazide[1]. Chlorothiazide is an orally active diuretic and anti-hypertensive agent[2].
CAS Number
1189440-79-6
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/chlorothiazide-13c-15n2.html
Solubility
10 mM in DMSO
Smiles
O=S1(C2=CC(S([15NH2])(=O)=O)=C(Cl)C=C2N[13CH]=[15N]1)=O
Molecular Formula
C6 13CH6ClN 15N2O4S2
Molecular Weight
298.70
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Babu V R, et al. Preparation and in-vitro release of chlorothiazide novel pH-sensitive chitosan-N, N′-dimethylacrylamide semi-interpenetrating network microspheres. Carbohydrate Polymers, 2008, 71 (2) : 208-217.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Chlorothiazide-13C,15N2
CAS Number1189440-79-6
PubChem CID46781007
IUPAC Name6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-(15N)sulfonamide
Molecular FormulaC7H6ClN3O4S2
Molecular Weight298.7
XLogP-0.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity532
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)[15NH2])S(=O)(=O)[15N]=[13CH]N2
InChI
InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)/i3+1,9+1,11+1
InChIKey
JBMKAUGHUNFTOL-FWIHXHLNSA-N
Chemical Structure
2D Structure
2D structure of Chlorothiazide-13C,15N2
CAS: 1189440-79-6
CID: 46781007
Formula: C7H6ClN3O4S2
MW: 298.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.7
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass297.9462503
Monoisotopic Mass297.9462503
Topological Polar Surface Area135 Ų
Heavy Atom Count17
Formal Charge0
Complexity532
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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006678Chlorothiazide-13C,15N2
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MBS6030260-01Debrisoquin-13C,15N2 (3,4-Dihydro-2(1H)-isoquinolinecarboximidamide-13C,15N2, Debrisoquine-13C,15N2, Isocaramidine-13C,15N2)
CS-I-00532Pyrimethanil-[13C,15N2]
CS-W-00160Nitrofurazone-13C,15N2
CS-O-06704Lamivudine-13C,15N2
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