UCSF

ZINC00001688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Other Names:

"5-Aminosalicylic acid, 98.5%"

sal-

09409_FLUKA

09410_FLUKA

2-Hydroxy-5-aminobenzoic acid

3-carboxy-4-hydroxyaniline

3-carboxy-4-hydroxyaniline; 5-ASA; 5-Aminosalicylic acid; Mesalazina; Mesalazine; Mesalazinum; m-Aminosalicylic acid; p-Aminosalicylsaeure

35589-28-7 (mono-hydrochloride salt)

4-14-00-02058 (Beilstein Handbook Reference)

5 Aminosalicylate

5 Aminosalicylic Acid

5-Amino-2-hydroxy-benzoic acid

5-Amino-2-hydroxy-benzoic acid; CPD000145728; SAM001247020

5-Amino-2-hydroxy-benzoic acid; CPD000145728; SAM001247020; mesalamine

5-Amino-2-hydroxybenzoic acid

5-aminosalicylate

5-aminosalicylate; CPD-12711; mesalamine

5-Aminosalicylate;5-Aminosalicylic acid;5-ASA;Mesalamine

5-Aminosalicylic acid hydrochloride; AI3-03745; Benzoic acid, 5-amino-2-hydroxy-, hydrochloride; C7H7NO3.HCl; LS-144242; Mesalamine Hydrochloride; Salicylic acid, 5-amino-, hydrochloride

5-Aminosalicylic acid sodium salt

5-Aminosalicylic Acid [for Biochemical Research]

5-Aminosalicylic acid, 95%

5-Aminosalicylic acid, 99%

5-Aminosalicylic acid, Mesalamine

5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa, Mesalamine

5-AminosalicylicAcid

5-AS

5-ASA

5-ASA; 5-Amino-2-hydroxybenzoic acid; 5-Aminosalicylate; 5-Aminosalicylic acid; AI3-15564; ASACOL; BRN 2090421; Benzoic acid, 5-amino-2-hydroxy-; C7H7NO3; CANASA; CCRIS 7334; Claversal; EINECS 201-919-1; LS-1894; Lialda; MESALAMINE; Mesalamine [USAN]; Mes

61513-32-4

6291-36-7 (hydrochloride)

89-57-6

89-57-6; Asacol (TN); D00377; Lialda (TN); Mesalamine (USP); Mesalazine (JAN/INN); Pentasa (TN); Rowasa (TN)

A0317

A3537_SIGMA

A3613/0153179

A6178_SIGMA

A79809_ALDRICH

AB00374979

AB1001921

AC-2764

AC1L1HCS

AC1Q51L9

AI3-15564

AJG-501

AKOS000118959

Allphar Brand of Mesalamine

AMINOHYDROXYBENZOICACI

Antigen Brand of Mesalamine

Apriso

Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa

ARONIS23914

Asacol

Asacol (TN)

Asacol HD

Asacol; Asacolitin; Canasa; Claversal; Fisalamine; Iialda; Lixacol; Mesasal; Pentasa; Rowasa; Salofalk

Asacolitin

Asacolon

Asacol|

Asalit

Ascolitin

Axcan Brand of Mesalamine

BB_NC-0015

benzoic acid, 5-amino-2-hydroxy-

Benzoic acid, 5-amino-2-hydroxy-, sodium salt

Benzoic acid,5-amino-2-hydroxy-, sodium salt (1:1)

BIDD:GT0811

BPBio1_001164

BRN 2090421

BSPBio_001058

Byk Brand of Mesalamine

Canasa

CAS-89-57-6

CCRIS 7334

Celltech Brand of Mesalamine

CHEBI:6775

CHEMBL704

CID4075

Claversal

cMAP_000045

CPD000145728

CPD000145728; 5-Amino-2-hydroxy-benzoic acid; 89-57-6

D00377

D019804

DAP000729

DB00244

EINECS 201-919-1

Falk Brand of Mesalamine

Farmasa Brand of Mesalamine

Ferring Brand of Mesalamine

Fisalamine

Fivasa

GlaxoSmithKline Brand of Mesalamine

Henning Berlin Brand of Mesalamine

HMS1571E20

HMS2051M21

HMS2090I09

HSDB 7512

Hydrochloride, Mesalamine

I06-0488

Iialda

Iialda (TN)

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

INN)

Ipocol

KBio2_002425

KBio2_004993

KBio2_007561

KBio3_002904

KBioGR_002425

KBioSS_002431

Lialda

Lixacol

LS-1894

LS-35878

m Aminosalicylic Acid

m-A

m-Aminosalicylic acid

MAX-002

MD-0901

Merckle Brand of Mesalamine

Mesacol

Mesalamine

Mesalamine (FDA

Mesalamine (Lialda)

Mesalamine (USP)

Mesalamine Hydrochloride

Mesalamine Monosodium Salt

Mesalamine [USAN]

Mesalazina

Mesalazina [Spanish]

mesalazina; mesalazine; mesalazinum

Mesalazine

Mesalazine (JAN/INN)

Mesalazine MMX

Mesalazinum

Mesalazinum [Latin]

Mesasal

Mesavance

Mesavancol

meta Aminosalicylic Acid

meta-Aminosalicylic Acid

Mezavant

Mezavant XL

MFCD00007877

MFCD00070555

minosalicylic acid

MLS000758287

MLS001424012

MolPort-001-641-024

Monosodium Salt, Mesalamine

N/A

NA

NCGC00016344-01

NCGC00090934-01

NCGC00090934-02

Norgine Brand of Mesalamine

Novo 5 ASA

Novo-5 ASA

Novo5 ASA

Novopharm Brand of Mesalamine

NSC 38877

NSC38877

Oprea1_847633

p-Aminosalicylsaeure

p-Aminosalicylsaeure [German]

Pentacol

Pentasa

Pentasa (TN)

Prestwick0_001069

Prestwick1_001069

Prestwick2_001069

Prestwick3_001069

Procter & Gamble Brand of Mesalamine

Provalis Brand of Mesalamine

Rowasa

Rowasa (TN)

S1681_Selleck

SALICYLIC ACID, 5-AMINO-

Salicylic acid, 5-amino- (8CI)

Salofalk

Salofalk Granu-Stix

Salozinal

SAM001247020

Sanofi Synthelabo Brand of Mesalamine

Schering Plough Brand of Mesalamine

Schering-Plough Brand of Mesalamine

sfRowasa

SmithKline Brand of Mesalamine

SMR000145728

Sodium 5-amino-2-hydroxybenzoate

Solvay Brand of Mesalamine

SPBio_002969

SPD-476

SPD-480

STK301678

UNII-4Q81I59GXC

USAN

USP); Mesalazine (BAN

WLN: ZR DQ CVQ

Yamanouchi Brand of Mesalamine

Z-206

||Asacolitin

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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

Vendor Notes

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 IB/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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.