Basic information
- CAS
63968-75-2- Standard SMILES
Cc1cc2ccccc2n1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1- InChIKey
LWCDXWWLUHMMJI-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O3S
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.0444402
Overview
Dehydroindapamide is a sulfonamide.
Names & identifiers
- Preferred name
- Dehydroindapamide
- IUPAC
- 4-chloro-N-(2-methylindol-1-yl)-3-sulfamoylbenzamide
- English name
- INDAPAMIDE RELATED COMPOUND A (50 MG) (4-CHLORO-N-(2-METHYL-INDOL-1-YL)-3-SULFAMOYLBEN-ZAMIDE) (AS)
- Molecular formula
- C16H14ClN3O3S
- Molecular weight
- 363.82
Names & synonyms
63968-75-2Dehydroindapamide4-chloro-N-(2-methyl-1H-indol-1-yl)-3-sulfamoylbenzamideBRN 4567208UNII-AZ0ETT16DTAZ0ETT16DT4-Chloro-N-(2-methyl-1-indolyl)-3-sulfamoylbenzamideBenzamide, 3-(aminosulfonyl)-4-chloro-N-(2-methyl-1H-indol-1-yl)-4-Chloro-3-sulfamoyl-N-(2-methyl-1H-indol-1-yl)benzamideBENZAMIDE, 4-CHLORO-N-(2-METHYL-1-INDOLYL)-3-SULFAMOYL-DTXSID10213806INDAPAMIDE IMPURITY B [EP IMPURITY]
Show more names
Indapamide Impurity 4Indapamide impurity VIndapamide impurity IIIndapamide impurity B CRSIndapamide impurity B (EP)IndapaMide Related CoMpound AIndapamide USP Related Compound A4-Chloro-N-(2-methyl-1H-indol-1-yl)
INDAPAMIDE IMPURITY B (EP IMPURITY)RefChem:131517DTXCID00136297Dehydro IndapamideIndapamide EP Impurity B4-chloro-N-(2-methylindol-1-yl)-3-sulfamoylbenzamideINDAPAMIDE RELATED COMPOUND A (50 MG) (4-CHLORO-N-(2-METHYL-INDOL-1-YL)-3-SULFAMOYLBEN-ZAMIDE) (AS)4-Chloro-N-(2-methyl-1H-indol-1-yl)-3-sulphamoylbenzamide
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Melting point
- 255 · 255-257℃
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 9.36 · 9.36±0.60(Predicted)
- form
- powder
- color
- White to Light Brown
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C16H14ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)
- InChIKey
- LWCDXWWLUHMMJI-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(N)c1c(ccc(c1)C(=O)N[n]2c3c(cc2C)cccc3)Cl
- FDA UNII
- 0 ETT16DT · AZ0ETT16DT
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
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 Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P263, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesRepr. 2 (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2935909550
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H361d-H362
- Hazard Classifications
- Lact.Repr. 2
- Precautionary statements
- P202-P260-P263-P264-P270-P308+P313
Chemistry & industry
Applications
UsesA metabolite of Indapamide (M5). A dehydrogenation pathway by cytochromes P450. Indapamide USP Related Compound A
Suppliers82 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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