chempirical

Trimethoprim lactate

C17H24N4O6CAS 23256-42-0380.40 g/mol

Open in Covalent MOL file
HOOOHONHNHNHHNOO
AlcoholCarboxylic acidEther

Properties

Molecular formula
C17H24N4O6
Molar mass
380.40 g/mol
Exact mass
380.1696 Da
logP
0.37Crippen estimate
Polar surface area
164.5 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
6

Identifiers

CAS number
23256-42-0
SMILES
CC(O)C(=O)O.COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OC
InChIKey
IIZVTUWSIKTFKO-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Propanoic acid, 2-hydroxy-, compd. with 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)
  • Lactic acid, compd. with 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine (1:1)
  • 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-, mono(2-hydroxypropanoate)
  • Lactotrim
  • 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine lactate

Work with Trimethoprim lactate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethoprim738-70-571 % similar Diaveridine5355-16-854 % similar Ormetoprim6981-18-647 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-638 % similar 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-237 % similar 5-[5-Iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinediamine865305-30-236 % similar (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-034 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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