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Diazoxide-d3

CAT: 1596-AR-D01681-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01681-02Size:25 Units
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CAS Number
1432063-51-8
Synonyms
7-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide-D3; 7-Chloro-3-methyl-d3-2H-1,2,4-benzothiadiazine 1,1-Dioxide; 3-Methyl-d3-7-chloro-1,2,4-benzothiadiazine 1,1-Dioxide; 7-Chloro-3-methyl-d3-2H-1,2,4-benzothiadiazine 1,1-Dioxide; Dizoxide-d3; Hyperstat-d3; Hypertonalum-d3; Mutabase-d3; NSC 64198-d3; NSC 76130-d3; Proglicem-d3; Proglycem-d3; SRG 95213-d3; Sch 6783-d3
Molecular Formula
C8H4ClN2O2SD3
Molecular Weight
233.68
API Name
Diazoxide

Chemical Information

7-chloro-3-(trideuteriomethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CAS Number1432063-51-8
PubChem CID76973176
IUPAC Name7-chloro-3-(trideuteriomethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Molecular FormulaC8H7ClN2O2S
Molecular Weight233.69
XLogP1.2
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity360
SMILES
[2H]C([2H])([2H])C1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)/i1D3
InChIKey
GDLBFKVLRPITMI-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 7-chloro-3-(trideuteriomethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CAS: 1432063-51-8
CID: 76973176
Formula: C8H7ClN2O2S
MW: 233.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.69
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass233.0105066
Monoisotopic Mass233.0105066
Topological Polar Surface Area66.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity360
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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