| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 10 | Yes |
Popular Name: Salicylic acid Salicylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102432-03-1 , 18917-89-0 , 18917-95-8 , 2016-36-6 , 2174-16-5 , 36364-49-5 , 4419-92-5 , 528-93-8 , 528-94-9 , 54-21-7 , 552-38-5 , 578-36-9 , 59-85-8 , 69-72-7 , 824-35-1 , [18917-89-0] , [18917-95-8] , [54-21-7] , [578-36-9] , [64425-90-7]
18917-89-0; C07995; Magnesium salicylate; Magnesium salicylate anhydrous
18917-95-8; D00827; Magan (TN); Magnesium salicylate (USP); Magnesium salicylate tetrahydrate
2-carboxyphenol; Benzoic acid, 2-hydroxy-; o-carboxyphenol; o-hydroxybenzoic acid
2-Hydroxybenzenecarboxylic acid
2-Hydroxybenzoic Acid [for Biochemical Research]
36364-49-5; D07293; Imidazole salicylate (INN); Selezen (TN)
4-(1H-Imidazol-1-ylmethyl)benzaldehyde
69-72-7; C00805; Salicylate; Salicylic acid; o-Hydroxybenzoic acid
Acido o-idrossibenzoico [Italian]
Advanced pain relief callus removers
Advanced pain relief corn removers
Alpha/Beta Hydroxy Acids (Glycolic Acid, Salicylic Acid)
ALPHA/BETA HYDROXY ACIDS (SALICYLIC ACID) (SEE ALPHA/BETA HYDROXY ACIDS)
ATA fraction 10, ammonium salt
Benzoic acid, 2-hydroxy- (9CI)
BENZOIC ACID,2-HYDROXY SALICYLIC ACID
CHEBI:45521; CHEBI:9006; CHEBI:26597
Choline magnesium trisalicylate
E9A559BE-383B-4F83-BC02-3031D03D558A
EPA Pesticide Chemical Code 076602
InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10
Kyselina 2-hydroxybenzoova [Czech]
LS-152427; Thieno(3,2-c)pyridine salicylate; Thieno(3,2-c)pyridine, 2-hydroxybenzoate
Magnesium salicylate tetrahydrate
Magnesium salicylate tetrahydrate, tech.
SALICYLIC ACID (SEE ALSO ALPHA HYDROXY ACIDS)
Salicylic acid USP (100 micron)
Salicylic acid, 99+%, ACS reagent
| 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) | 1.87 | 3.11 | -51.26 | 1 | 3 | -1 | 60 | 137.114 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.13e+01 g/l | DrugBank-approved |
| Mp [°C] | 158 - 161 | Acros Organics |
| Melting_Point | 158-160? | Alfa-Aesar |
| Melting_Point | 158-160° | Alfa-Aesar |
| MP | 158-161 °C(lit.) | Indofine |
| MP | 159 | TCI |
| MP | 161 - 163 | Enamine Building Blocks |
| MP | 161...163 | Enamine Building Blocks |
| Mp [°C] | 200 | Acros Organics |
| BP [°C] | 211 (p=20 torr) | Acros Organics |
| BP | 211 / 20 | TCI |
| Boiling_Point | 211?/20mm | Alfa-Aesar |
| Boiling_Point | 211°/20mm | Alfa-Aesar |
| UniProt Database Links | 3HBH_CORGL; 4OT3_PSEPU; 4OT4_PSEPU; 4OT_COMTE; 4OT_PSEFL; 4OT_PSEST; AAMT1_MAIZE; AAMT2_MAIZE; AAMT3_MAIZE; AB40G_ARATH; AB4C_ARATH; AB6C_ARATH; AB7C_ARATH; ADHX_ARATH; ADR1_ARATH; ALD1_ARATH; ANDAC_BURCE; ANDAD_BURCE; ANMT_RUTGR; ANXD1_ARATH; ANXD4_ARATH | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Target | Baculoviral IAP repeat-containing protein 5(O15392)&Caspase-9(P55211)&Calcium-transporting ATPase type 2C member 1(P98194)&Phosphoglycolate phosphatase(A6NDG6)&DNA topoisomerase 1(P11387)&Integrin alpha-2(P17301)&Integrin alpha-5(P08648)&Myc proto-oncogen | Herbal Ingredients Targets |
| Melting_Point | dec. | Alfa-Aesar |
| Patent Database Links | EP0822189; EP0857725; EP0893119; EP0962459; EP1106175; EP1236476; EP1405646; EP1493429; EP1493430; EP1495762; EP1495763; EP1535607; EP1566383; EP1579860; EP1580218; EP1586308; EP1588703; EP1588715; EP1595936; EP1598346; EP1604646; EP1614430; EP1634584; EP | ChEBI |
| SOLUBILITY | ethanol: 1 M at 20 °C, clear, colorless | Indofine |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H318: Causes serious eye damage | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| Therapy | keratolytic | SMDC Iconix |
| Target | NF-¦ÊB | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physic | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R41: Risk of serious damage to eyes. | Acros Organics |
| Reactome Database Links | REACT_6790 | ChEBI |
| 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 |
| PUBCHEM_PATENT_ID | US5166073 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-4-E | Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic | Eukaryotes | 9920 | 0.70 | Binding ≤ 10μM |
| CAH12-9-E | Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic | Eukaryotes | 8800 | 0.71 | Binding ≤ 10μM |
| CAH15-4-E | Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 7200 | 0.72 | Binding ≤ 10μM |
| CAH2-13-E | Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic | Eukaryotes | 7120 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 7200 | 0.72 | Binding ≤ 10μM |
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 9900 | 0.70 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 7100 | 0.72 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 8800 | 0.71 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Conjugation of salicylate with glycine |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.