Pyrimethamine pamoate
Basic information
- CAS
85819-86-9- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
VJVWMYFEZGXNPC-UHFFFAOYSA-N- Molecular formula
- C35H29ClN4O6
- Average molar mass
- 637.1 g/mol
- Monoisotopic mass
- 636.1775624
Overview
long-acting antimalarial; structure given in first source
Names & identifiers
- Preferred name
- Pyrimethamine pamoate
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
- English name
- pyrimethamine pamoate
- Molecular formula
- C35H29ClN4O6
- Molecular weight
- 637.08096
Names & synonyms
Pyrimethamine pamoateQCT0IT9RPV85819-86-9DTXSID602350982-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, comp d. with 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamineRefChem:177746DTXCID60157589UNII-QCT0IT9RPVPYRIMETHAMINE EMBONATE4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamineQ272871942-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, compd. with 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
Show more names
4,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (1/1)
Database identifiers
- CAS
85819-86-9
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 811
Physicochemical properties
- FDA UNII
- 0 IT9RPV · QCT0IT9RPV
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Compound notes
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