chempirical

Lamivudine salicylate

C15H17N3O6SCAS 173522-96-8367.38 g/mol

Open in Covalent MOL file
HNNSOHOOHNOHOHO
AlcoholCarboxylic acidEtherPhenolSulfide

Properties

Molecular formula
C15H17N3O6S
Molar mass
367.38 g/mol
Exact mass
367.0838 Da
logP
0.74Crippen estimate
Polar surface area
148.9 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
173522-96-8
SMILES
N=c1ccn([C@@H]2CS[C@H](CO)O2)c(O)n1.O=C(O)c1ccccc1O
InChIKey
GFZSGYKUKMIFHP-UOERWJHTSA-N
InChI
InChI=1S/C8H11N3O3S.C7H6O3/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;8-6-4-2-1-3-5(6)7(9)10/h1-2,6-7,12H,3-4H2,(H2,9,10,13);1-4,8H,(H,9,10)/t6-,7+;/m0./s1

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-hydroxy-, compd. with 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)
  • Benzoic acid, 2-hydroxy-, compd. with (2R-cis)-4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone (1:1)
  • 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2R-cis)-, mono(2-hydroxybenzoate) (salt)

Work with Lamivudine salicylate

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

Lamivudine134678-17-470 % similar Dideoxycytidine7481-89-247 % similar Deoxycytidine951-77-946 % similar Emtricitabine143491-57-045 % similar 2′-Deoxycytidine hydrochloride3992-42-544 % similar Cytarabine147-94-443 % similar Cytidine65-46-343 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate147027-10-942 % similar

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

Elsewhere

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