In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 26 | No |
Popular Name: PARECOXIB SODIUM PARECOXIB SODIUM
Find On: PubMed — Wikipedia — Google
CAS Numbers: 198470-85-8 , [198470-84-7] , [198470-85-8]
198470-85-8; D03717; Parecoxib sodium (USAN)
CPD000469594; PARECOXIB Na; SAM001246773
CPD000469594; Parecoxib sodium; SAM001246773
N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide; SC 69124; SC-69124
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.49 | 5.33 | -52.38 | 0 | 6 | -1 | 96 | 369.422 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 7.06 | -16.88 | 1 | 6 | 0 | 89 | 370.43 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.62e-02 g/l | DrugBank-experimental |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP010755P; 1 Sodium | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP010755P; SALT: 1 Sodium | NIH Clinical Collection via PubChem |