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mesalazine

mesalazine

CAS: 89-57-6

Formula: C7H7NO3

SMILES: NC1=CC(C(O)=O)=C(O)C=C1

IUPAC: 5-amino-2-hydroxybenzoic acid

InChI: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)

Composition: C (54.90%), H (4.61%), N (9.15%), O (31.34%)

Molar Mass: 153.137

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names 5-asa; allphar brand of mesalamine; antigen brand of mesalamine; asacol; asacolitin; asacolon; ascolitin; axcan brand of mesalamine; byk brand of mesalamine; canasa; celltech brand of mesalamine; claversal; falk brand of mesalamine; farmasa brand of mesalamine; ferring brand of mesalamine; fisalamine; fivasa; glaxosmithkline brand of mesalamine; henning berlin brand of mesalamine; iialda; lialda; lixacol; m-aminosalicylic acid; merckle brand of mesalamine; mesalamine; mesalamine monosodium salt; mesalazina; mesalazine; mesalazinum; mesasal; monosodium salt, mesalamine; norgine brand of mesalamine; novo 5 asa; novo-5 asa; novo5 asa; novopharm brand of mesalamine; p-aminosalicylsaeure; pentacol; pentasa; procter & gamble brand of mesalamine; provalis brand of mesalamine; rowasa; salofalk; sanofi synthelabo brand of mesalamine; schering plough brand of mesalamine; smithkline brand of mesalamine; solvay brand of mesalamine; yamanouchi brand of mesalamine
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 153.042593089
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey KBOPZPXVLCULAV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40
Topological Polar Surface Area 83.55
Polarizability 14.46
Ring Count 1
Rotatable Bond Count 1

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