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DU717

CAT: 0931-T11109-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11109-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59943-31-6
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Purity
0.9976
Bioactivity
DU717 is an antihypertensive agent.
Smiles
O=S1(=O)C=2C(NC(=N1)N3CCN(C)CC3)=CC=C(Cl)C2
Molecular Formula
C12H15ClN4O2S
Molecular Weight
314.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DU 717

structure

CAS Number59943-31-6
PubChem CID43148
IUPAC Name7-chloro-3-(4-methylpiperazin-1-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.79
XLogP1
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity496
SMILES
CN1CCN(CC1)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKey
JPZVJONKWYICFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DU 717
CAS: 59943-31-6
CID: 43148
Formula: C12H15ClN4O2S
MW: 314.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.79
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass314.0604246
Monoisotopic Mass314.0604246
Topological Polar Surface Area73.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-U00182DU717

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