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Hydroflumethiazide-13C, d2

CAT: 0804-HY-W011240S-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011240S-01Size:500 µg
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Description
Hydroflumethiazide-13C, d2 is the deuterium and 13C labeled Hydroflumethiazide[1].
CAS Number
1189877-11-9
Product Name Alternative
Methforylthiazidine-13C, d2; Rontyl-13C, d2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=S1(C2=CC(S(N)(=O)=O)=C(C(F)(F)F)C=C2N[13C]([2H])([2H])N1)=O
Molecular Formula
C7 13CH6D2F3N3O4S2
Molecular Weight
334.30
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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

Hydroflumethiazide-13CD2
CAS Number1189877-11-9
PubChem CID46781711
IUPAC Name3,3-dideuterio-1,1-dioxo-6-(trifluoromethyl)-2,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC8H8F3N3O4S2
Molecular Weight334.3
XLogP0.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity578
SMILES
[2H][13C]1(NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1)[2H]
InChI
InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)/i3+1D2
InChIKey
DMDGGSIALPNSEE-QFNKQLDQSA-N
Chemical Structure
2D Structure
2D structure of Hydroflumethiazide-13CD2
CAS: 1189877-11-9
CID: 46781711
Formula: C8H8F3N3O4S2
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.3
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass334.00674091
Monoisotopic Mass334.00674091
Topological Polar Surface Area135 Ų
Heavy Atom Count20
Formal Charge0
Complexity578
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
AR-H07719-01Hydroflumethiazide-13C-d2
AR-H07720-01Hydroflumethiazide-15N2-13C-d2
TRC-H714630-1GHydroflumethiazide
sc-280792Hydroflumethiazide-13CD2
A17897-100Hydroflumethiazide 100mg
013290Hydroflumethiazide-d2
A17897-500Hydroflumethiazide 500mg
A17897-50Hydroflumethiazide 50mg
A17897-10Hydroflumethiazide 10mg
A17897-5Hydroflumethiazide 5mg

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