Basic information
- CAS
133562-97-7- Standard SMILES
C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1- InChIKey
VGLGVJVUHYTIIU-UHFFFAOYSA-N- Molecular formula
- C11H14ClN3O4S3
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 382.9834972
Overview
6-chloro-1,1-dioxo-3-[(prop-2-enylthio)methyl]-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide is a benzothiadiazine.
Names & identifiers
- Preferred name
- Althiazide
- IUPAC
- 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- English name
- Althiazide
- Molecular formula
- C11H14ClN3O4S3
- Molecular weight
- 383.89
Names & synonyms
althiazideAltizide5588-16-9AltizidaAltizidumDTXSID3045857GI8CB72B0DNSC-757786P-1779DTXCID10258576-Chloro-3,4-dihydro-3-((2-propenylthio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamidealtozide
Show more names
AltizidCB 8093CB-8093AlthizideAltizide CRSAltizide (Y0000606)3-[(Allylthio)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide3-[(allylthio)methyl]-6-chloro-1,1-diketo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
RefChem:556225226-994-83-((allylthio)methyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxideAltizide, (+)-(-)-AltizideAlthiazide [USAN]3-((Allylthio)methyl)-6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
Database identifiers
- CAS
133562-97-7、133585-76-9、5588-16-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 613
Experimental & physicochemical properties
LogP1.17
Human DrugsPharmaceuticals
Collision Cross Section
181.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
172.4 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 206 · 206-207°
- Boiling point
- 625.8 · 625.8±65.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Practically insoluble in water, soluble in methanol, practically insoluble in dichloromethane.
- pka
- 8.33 · 8.33±0.40(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
ATC CodeC03EA04
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
DescriptionAlthiazide, also known as altizide, is an agent belonging to the class of thiazide diuretics with antihypertensive activity. This aldosterone antagonist is often combined with spironolactone.
UsesDiuretic and antihypertensive.
Upstream & downstream products
Upstream raw materials
Suppliers22 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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