Basic information
- CAS
66934-68-7- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
UMWGUXASJWUPPK-UHFFFAOYSA-N- Molecular formula
- C37H34N4O9
- Average molar mass
- 678.7 g/mol
- Monoisotopic mass
- 678.23257867
Names & identifiers
- Preferred name
- Trimethoprim pamoate
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
Trimethoprim pamoateUNII-PS26L9KNKAPS26L9KNKADTXSID10217086RefChem:191739DTXCID1013957766934-68-7Q272867234,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1/1)
Database identifiers
- CAS
66934-68-7- PubChem CID
- 64940
- DTXSID
DTXSID10217086- UNII
- PS26L9KNKA
Properties
Computed structural properties
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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