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Hydroflumethiazide-13CD2

CAT: 0572-TRC-H714632-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H714632-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189877-11-9
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
[2H][13C]1([2H])Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F
Molecular Formula
C713CH6D2F3N3O4S2
Molecular Weight
334.3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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