Salicylsalicylic acid
CAS Number: 552-94-3
Molecular Mass: 258.23 g/mol
Formula: C14H10O5
Smiles: O=C(Oc1ccccc1C(=O)O)c1ccccc1O
Synonymes:
Salicylsalicylic acid, Salsalate, 552-94-3, sasapyrine, Disalcid, 2-Carboxyphenyl salicylate, Disalicylic acid, Sasapyrinum, Sasapyrin, 2-(2-hydroxybenzoyl)oxybenzoic acid, Disalicylsaeure, Salsalato, Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester, 2-((2-Hydroxybenzoyl)oxy)benzoic acid, Salicylic acid, bimolecular ester, Salsalatum, NSC-49171, O-Salicylcylsalicylsaeure, Salflex, Salicyloxysalicylic acid, Disalicyclic acid, Mono-gesic, 2-[(2-Hydroxybenzoyl)oxy]benzoic acid, CHEBI:9014, V9MO595C9I, Salicylic acid bimolecular ester, DTXSID1023572, NSC49171, DTXCID203572, 4-10-00-00165 (Beilstein Handbook Reference), 2-((2-hydroxyphenyl)carbonyloxy)benzoic acid, 2-[(2-hydroxyphenyl)carbonyloxy]benzoic acid, Salsitab, Salsalate Rx, RefChem:58291, N02BA06, 209-027-4, Diplosal, Salicyloylsalicylic acid, Saloxium, Salysal, Diacesal, Sasapirin, Disalyl, Nobacid, Salical, Salina, o-Salicylsalicylic acid, Sal Ester Sal, Salicylic acid, salicylate, Salsalatum [INN-Latin], MFCD00020252, 2-Hydroxybenzoic acid 2-carboxyphenyl ester, Sasapyrine (JAN), Salsalate (Standard), Salicylsalicylic acid, Disalicylic acid, NCGC00096014-01, SASAPYRINE [JAN], Salicylic Acid Salicylate, Salsalato [INN-Spanish], O-Salicyloylsalicylic Acid, Disalcid (TN), CAS-552-94-3, 2-(2-hydroxyphenylcarbonyloxy)benzoic acid, Salsalate (USP/INN), EINECS 209-027-4, NSC 49171, 2-Salicyloyloxybenzoic Acid, BRN 2590908, UNII-V9MO595C9I, Disalgesic, 2-[(2-Hydroxybenzoyl)oxy]benzoic Acid (Salicylsalicylic Acid), Sasapyrine?, Salsalate [USAN:USP:INN:BAN], Aspirin Impurity E, Salicylic Acid 2-Carboxyphenyl Ester, carboxyphenyl salicylate, Spectrum_001998, SALSALATE [INN], SALSALATE [MI], Aspirin EP Impurity E, SALSALATE [USAN], Spectrum2_000693, Spectrum3_000173, Spectrum4_000940, Spectrum5_000670, SALSALATE [VANDF], Epitope ID:613456, SALSALATE [MART.], SALSALATE [USP-RS], SALSALATE [WHO-DD], 2-{[(2-hydroxyphenyl)carbonyl]oxy}benzoic acid, SCHEMBL15562, BSPBio_001665, KBioGR_001500, KBioSS_002572, SPECTRUM200331, Salsalate - Bio-X trade mark, SPBio_000845, CHEMBL154111, orb1310554, SALSALATE [USP IMPURITY], Salsalate, >=98% (HPLC), SCHEMBL18096513, SCHEMBL29362887, BDBM85244, HY-B1245R, KBio2_002563, KBio2_005131, KBio2_007699, KBio3_001165, MSK8004, SALSALATE [USP MONOGRAPH], GLXC-08143, HMS2091A05, HMS3652P07, HMS3885J09, HMS5082F08, HMS6018B18, Pharmakon1600-00200331, HY-B1245, NSC_5161, Benzoic acid, 2-carboxyphenyl ester, Tox21_111548, CCG-39652, EBC-26349, MSK8004-100A, NSC755823, s4188, SBB003097, AKOS003368478, Tox21_111548_1, CS-4891, DB01399, FS27786, NSC-755823, NCGC00096014-02, NCGC00096014-03, AC-18298, AS-12645, BS300124, CAS_552-94-3, ST083489, 2-[(2-Hydroxybenzoyl)oxy]benzoic acid #, SBI-0206687.P002, DB-020760, CS-0694787, NS00009927, SW219189-1, T0498, C75590, D00428, Sasapyrine Solution in Acetonitrile, 100ug/mL, AB01563259_01, AB01563259_02, F241207, SR-05000001536, CARBASALATE CALCIUM IMPURITY D [EP IMPURITY], Q1320691, SR-05000001536-1, ACETYLSALICYLIC ACID IMPURITY E [EP IMPURITY], BRD-K48892307-001-04-1, BRD-K48892307-001-05-8, Aspirin Impurity E, Acetylsalicylic Acid EP Impurity E, DL-LYSINE ACETYLSALICYLATE IMPURITY M [EP IMPURITY], Salsalate, United States Pharmacopeia (USP) Reference Standard, Salsalate (Aspirin Impurity E), Pharmaceutical Secondary Standard, Certified Reference Material
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 324.45 | - | 1044.0 | [24] |
| 1,4-Dioxane | 326.55 | - | 1068.0 | [24] |
| 1,4-Dioxane | 330.35 | - | 1119.0 | [24] |
| 1,4-Dioxane | 332.55 | - | 1149.0 | [24] |
| 1,4-Dioxane | 334.95 | - | 1186.0 | [24] |
| 1,4-Dioxane | 337.35 | - | 1223.0 | [24] |
| Toluene | 327.75 | - | 38.0 | [24] |
| Toluene | 329.25 | - | 40.4 | [24] |
| Toluene | 333.45 | - | 45.0 | [24] |
| Toluene | 335.25 | - | 49.7 | [24] |
| Toluene | 335.95 | - | 52.1 | [24] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 625.8319 |
| PMI2 | 2061.0245 |
| PMI3 | 2415.8872 |
| NPR1 | 0.2590 |
| NPR2 | 0.8531 |
| RadiusOfGyration | 3.1433 |
| InertialShapeFactor | 0.0014 |
| Eccentricity | 0.9659 |
| Asphericity | 0.4140 |
| SpherocityIndex | 0.1408 |
| PBF | 0.6637 |