chempirical

LY 544349 sodium tetrahydrate

C20H29N2NaO11SCAS 201677-61-4528.50 g/mol

Open in Covalent MOL file
OOSOOHNONHO−OH2OH2OH2OH2ONa+
Carboxylic acidEsterSulfonamide

Properties

Molecular formula
C20H29N2NaO11S
Molar mass
528.50 g/mol
Exact mass
528.1390 Da
logP
-0.85Crippen estimate
Polar surface area
268.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

Identifiers

CAS number
201677-61-4
SMILES
CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC([O-])=O)cc1.O.O.O.O.[Na+]
InChIKey
ZTSWBOROHLPTLV-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O7S.Na.4H2O/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;;;;;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);;4*1H2

Weigh it out

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

Names and synonyms

5 names
  • Propanoic acid, 2,2-dimethyl-, 4-[[[2-[[(carboxymethyl)amino]carbonyl]phenyl]amino]sulfonyl]phenyl ester, sodium salt, hydrate (1:1:4)
  • Glycine, N-[2-[[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]sulfonyl]amino]benzoyl]-, monosodium salt, tetrahydrate
  • Sivelestat sodium tetrahydrate
  • Elaspol 100
  • Elaspol

Work with LY 544349 sodium tetrahydrate

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

Sivelestat127373-66-454 % similar Sodium hippurate532-94-539 % similar Sodium P-aminohippurate94-16-635 % similar Sodium N-[8-(2-hydroxybenzoyl)amino]caprylate203787-91-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook