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Chlorothiazide-13C,15N2

CAT: 0572-TRC-C380002-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C380002-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189440-79-6
Synonyms
6-Chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide-13C,15N2; 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide-13C,15N2 1,1-dioxide; Chlorthiazide-13C,15N2;Chlotride-13C,15N2;Diuril-13C,15N2; Saluric-13C,15N2;
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
ClC1=C(S([15NH2])(=O)=O)C=C2C(N[13CH]=[15N]S2(=O)=O)=C1
Molecular Formula
C6¹³CH6ClN¹⁵N2O4S2
Molecular Weight
298.7
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
Additionnal Information
IUPAC name: 6-chloro-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide-3-13C-2-15N-15N 1,1-dioxide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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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Alternative Products

CatalogName
006678Chlorothiazide-13C,15N2
AR-C07192-01Chlorothiazide-13C,15N2 (Hydrochlorothiazide EP Impurity A-13C,15N2)
CS-O-53124Chlorothiazide-15N2, d
D1814-10Debrisoquin-13C,15N2 (3,4-Dihydro-2 (1H) -isoquinolinecarboximidamide-13C,15N2, Debrisoquine-13C,15N2, Isocaramidine-13C,15N2)
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
CS-O-02881Cefixime-13C,15N2
CS-O-03343Allopurinol-13C,15N2

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