| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: 5-Aminosalicylic acid 5-Aminosalicylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 35589-28-7 , 89-57-6 , [35589-28-7] , [89-57-6]
"5-Aminosalicylic acid, 98.5%"
35589-28-7 (mono-hydrochloride salt)
4-14-00-02058 (Beilstein Handbook Reference)
5-Amino-2-hydroxy-benzoic acid
5-Amino-2-hydroxy-benzoic acid; CPD000145728; SAM001247020
5-Amino-2-hydroxy-benzoic acid; CPD000145728; SAM001247020; mesalamine
5-aminosalicylate; CPD-12711; mesalamine
5-Aminosalicylate;5-Aminosalicylic acid;5-ASA;Mesalamine
5-Aminosalicylic acid sodium salt
5-Aminosalicylic Acid [for Biochemical Research]
5-Aminosalicylic acid, Mesalamine
5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa, Mesalamine
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa
benzoic acid, 5-amino-2-hydroxy-
Benzoic acid, 5-amino-2-hydroxy-, sodium salt
Benzoic acid,5-amino-2-hydroxy-, sodium salt (1:1)
CPD000145728; 5-Amino-2-hydroxy-benzoic acid; 89-57-6
GlaxoSmithKline Brand of Mesalamine
Henning Berlin Brand of Mesalamine
InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11
mesalazina; mesalazine; mesalazinum
Procter & Gamble Brand of Mesalamine
Salicylic acid, 5-amino- (8CI)
Sanofi Synthelabo Brand of Mesalamine
Schering Plough Brand of Mesalamine
Schering-Plough Brand of Mesalamine
SmithKline Brand of Mesalamine
Sodium 5-amino-2-hydroxybenzoate
| 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) | 0.92 | 0.97 | -52.2 | 3 | 4 | -1 | 86 | 152.129 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.22e+01 g/l | DrugBank-approved |
| MP | 280 - 282 | Enamine Building Blocks |
| MP | 280(dec.) | Matrix Scientific |
| MP | 280...282 | Enamine Building Blocks |
| Mp [°C] | 283 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Therapy | antiinflammatory | SMDC Iconix |
| biological_use | Antiinflammatory agent | IBScreen Bioactives |
| biological_use | Antiseptic | IBScreen Bioactives |
| Melting_Point | ca 280? dec. | Alfa-Aesar |
| Melting_Point | ca 280° dec. | Alfa-Aesar |
| mechanism | Cyclooxygenase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Cyclooxygenase inhibitor; Prostaglandin antagonist | ZereneX Building Blocks |
| biological_use | Drug used for treatment of ulcerative colitis | IBScreen Bioactives IBScreen Bioactives |
| Patent Database Links | EP1493439; EP1520590; EP1760072; EP1767223; EP1889847; EP1908476; EP1938803; EP1955693; EP1955710; EP1955711; US2003109520; US2003172470; US2003192132; US2004023290; US2004024057; US2004142904; US2004147515; US2005080003; US2005261242; US2006003972; US200 | ChEBI |
| biological_use | Esters used as sunscreens | IBScreen Bioactives |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H412: Harmful to aquatic life with long lasting effects; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Target | I¦ÊB/IKK | Selleck Chemicals |
| biological_use | Low acute oral toxicity | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101661 | NIH Clinical Collection via PubChem |
| 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; P273: Avoid release to the environment; 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: | Acros Organics |
| mechanism | Prostaglandin antagonist | IBScreen Bioactives |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101661 | NIH Clinical Collection via PubChem |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.