Trimethoprim lactate

C₁₇H₂₄N₄O₆CAS 23256-42-0380.40 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₂₄N₄O₆
Molar mass: 380.40 g/mol
Exact mass: 380.1696 Da
logP: 0.37Crippen estimate
Polar surface area: 164.5 Å²
H-bond donors / acceptors: 6 / 7
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed40% of notifiers
H302 Harmful if swallowed20% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H331 Toxic if inhaled20% of notifiers
H332 Harmful if inhaled20% of notifiers
H360 May damage fertility or the unborn child20% of notifiers
H361d Suspected of damaging the unborn child20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P318, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lactic acid50-21-5Free acid Polylactic acid26100-51-6Free acid Lactic acid598-82-3Free acid L-Lactic acid79-33-4Free acid, defined stereoisomer D-Lactic acid10326-41-7Free acid, defined stereoisomer Poly[(+)-lactic acid]106989-11-1Free acid, defined stereoisomer Trimethoprim738-70-5Free base Sodium lactate72-17-3Salt Calcium lactate814-80-2Salt Aluminium lactate18917-91-4Salt Potassium lactate996-31-6Salt Silver lactate128-00-7Salt

Similar compounds

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 (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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