Basic information
- CAS
42583-55-1- Standard SMILES
COC(=O)C1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C- InChIKey
PFRBORHNFYMVOA-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O6S2
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 368.9856052
Names & identifiers
- Preferred name
- Carmetizide
- IUPAC
- methyl 6-chloro-2-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazine-3-carboxylate
- English name
- Carmetizide
- Molecular formula
- C10H12ClN3O6S2
- Molecular weight
- 369.8
Names & synonyms
Carmetizide42583-55-1CarmetizidaCarmetizide [INN]CarbomethoxythiazideCarmetizidumCarmetizidum [INN-Latin]Carmetizida [INN-Spanish]DU 5747DU-5747BRN 0715143UNII-8695816VMO
Show more names
(7-Sulfamoyl-6-chloro-3,4-dihydro-2-methyl-2H-1,2,4-benzothiadiazine-3-carboxylic acid methyl)1,1-dioxide6-Chloro-3,4-dihydro-2-methyl-7-sulfamoyl-2H-1,2,4-benzothiadiazine-3-carboxylic acid 1,1-dioxide methyl ester
8695816VMODTXSID208661002H-1,2,4-Benzothiadiazine-3-carboxylic acid, 7-(aminosulfonyl)-6-chloro-3,4-dihydro-2-methyl-, methyl ester, 1,1-dioxide6-Chloro-3-carbomethoxy-3,4-dihydro-2-methyl-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxideCarmetizidum (INN-Latin)Carmetizida (INN-Spanish)RefChem:123742DTXCID00814427
Database identifiers
- CAS
42583-55-1- PubChem CID
- 68670
- DTXSID
DTXSID20866100- ChEMBL
CHEMBL2104012- UNII
- 8695816VMO
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- Boiling point
- 589.402 · 589.402±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.5765 · 1.5765 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- pka
- 9.266 · 9.266±0.40(predicted)
- FDA UNII
- 8695816 VMO · 8695816VMO
Chemistry & industry
Suppliers1 total
湖南增达生物科技有限公司18274875143 18932421294 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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