Basic information
- CAS
59943-31-6- Standard SMILES
CN1CCN(C2=NS(=O)(=O)c3cc(Cl)ccc3N2)CC1- InChIKey
JPZVJONKWYICFB-UHFFFAOYSA-N- Molecular formula
- C12H15ClN4O2S
- Average molar mass
- 314.79 g/mol
- Monoisotopic mass
- 314.0604246
Overview
structure
Names & identifiers
- Preferred name
- DU 717
- IUPAC
- 7-chloro-3-(4-methylpiperazin-1-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
- English name
- DU 717
- Molecular formula
- C12H15ClN4O2S
- Molecular weight
- 314.796
Names & synonyms
DU71759943-31-6DU-717DU 7172H-1,2,4-BENZOTHIADIAZINE, 7-CHLORO-3-(4-METHYL-1-PIPERAZINYL)-, 1,1-DIOXIDENSC-292806G7JWN444UVDTXSID302086537-Chloro-3-(4-methyl-1-piperazinyl)-2H-1,2,4-benzothiadiazine-1,1-dioxideRefChem:135938DTXCID801311447-Chloro-3-(4-methyl-1-piperazinyl)-4H-1,2,4-benzothiadiazine-1,1-dioxide
Show more names
DU717, 10 mM in DMSO7-chloro-3-(4-methyl-1-piperazinyl)-2H-1,2,4-benzothiadiazine 1,1-dioxide
NSC2928067-chloro-3-(4-methylpiperazin-1-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxideNSC 292806orb1709822SCHEMBL11694487HY-U00182AKOS040733034CS-7256
Database identifiers
- CAS
59943-31-6- PubChem CID
- 43148
- DTXSID
DTXSID30208653- UNII
- G7JWN444UV
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Density
- 1.3907 · 1.3907 (rough estimate)
- refractive index
- 1.563 · 1.5630 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 7 JWN444UV · G7JWN444UV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDU-717 is an antihypertensive agent.
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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