Basic information
- CAS
77-46-3- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1- InChIKey
AMTPYFGPPVFBBI-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.08307817
Overview
Acedapsone is a sulfone that is dapsone in which both of the amino groups been acetylation. An antimicrobial drug, it also has antimalarial activity. It has a role as an antimicrobial drug and an antimalarial. It is an anilide, a secondary carboxamide, a member of acetamides and a sulfone. It is functionally related to a dapsone.
Names & identifiers
- Preferred name
- Acedapsone
- IUPAC
- N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide
- English name
- acedapsone
- Molecular formula
- C16H16N2O4S
- Molecular weight
- 332.378
Names & synonyms
Acedapsone77-46-3DiacetyldapsoneSulfadiamineHansolarDADDSAcedapsonaAcedapsonumPAM-MR-1165CN-1883Bis(4-acetamidophenyl)sulfone4',4'''-Sulfonylbis(acetanilide)
Show more names
1399 fCamilanN,N'-Diacetyldapsone44SULPHONYLBISACETANILIDE-SULFONYLBIS(ACETANILIDE)4',4'''-sulfonylbis-acetanilid4,4'-diacetamidodiphenyl sulfone
4,4'-Diacetyldiaminodiphenyl sulfoneCI 5564,4'-Diacetylaminodiphenyl sulfone4',4'''-Sulfonylbis(acetanilidec)CI-556N,N'-(Sulfonyldi-4,1-phenylene)bisacetamideN,N'-Diacetyl-4,4'-diaminodiphenyl sulfoneNSC-218125
Database identifiers
- CAS
77-46-3- PubChem CID
- 6477
- DTXSID
DTXSID1021295- ChEMBL
CHEMBL154166- ChEBI
CHEBI:139474- UNII
- 0GZ72U84TN
- EC Number
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Collision Cross Section
173.36 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
171.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 289 · 289-292°
- Density
- 1.2982 · 1.2982 (rough estimate)
- refractive index
- 1.693 · 1.6930 (estimate)
- FDA UNII
- 0 GZ72U84TN · 0GZ72U84TN
Safety & regulation
Hazard information
Other Safety InformationIMAP assessments - Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis-: Environment tier I assessment
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
Substances that suppress Mycobacterium leprae, ameliorate the clinical manifestations of leprosy, and/or reduce the incidence and severity of leprous reactions.
Applications
UsesAntimalarial; antibacterial (leprostatic).
Upstream & downstream products
Upstream raw materials
Suppliers9 total
韶关市启程生物科技有限公司18122215013 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
福州福康医药科技有限公司18150835816
Related reactions
0 records
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Compound notes
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