| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 19 | Yes |
Popular Name: Salsalate Salsalate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 552-94-3 , [552-94-3]
2-((2-Hydroxybenzoyl)oxy)benzoic acid
2-(2-hydroxybenzoyl)oxybenzoic acid
2-Hydroxybenzoic acid 2-carboxyphenyl ester
2-[(2-hydroxybenzoyl)oxy]benzoic acid
2-{[(2-hydroxyphenyl)carbonyl]oxy}benzoic acid
552-94-3; D00428; Disalcid (TN); Salsalate (USP/INN); Sasapyrine (JAN)
Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester
Salicylic acid, bimolecular ester
Salicylsalicylic acid;Salsalatum [inn-latin];Sasapyrine
| 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) | 3.77 | 7.59 | -61.93 | 1 | 5 | -1 | 87 | 257.221 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 8.59 | -134.79 | 0 | 5 | -2 | 89 | 256.213 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 132-138? | Alfa-Aesar |
| Melting_Point | 132-138° | Alfa-Aesar |
| Mp [°C] | 139 - 151 | Acros Organics |
| ALOGPS_SOLUBILITY | 2.46e-01 g/l | DrugBank-approved |
| Purity | 98% | Fluorochem |
| Purity | 98-102% | APIChem |
| Therapy | analgesic | SMDC Iconix |
| Target | COX | Selleck Chemicals |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.