UCSF

ZINC00001554

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 10 Yes

Other Names:

"Salicylic acid, 99%"

"Sodium salicylate, 99%"

((1,2-Ethanediylbis(carbamodithioato))(2-))manganese, mixt. with ((1,2-ethanediylbis(carbamodithioato))(2-))zinc & 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl 2-buten oate; ((1,2-ethanediylbis(carbamodithioato))(2-))manganese, mixt. with ((1,2-ethanediylbi

(2-Hydroxyethyl)trimethylammonium salicylate; 2-Hydroxy-N,N,N-trimethylethanaminium salt with 2-hydroxybenzoic acid (1:1); Actasal; Arret; Arthropan; Artrobione; C7H5O3.C5H14NO; Choline salicylate; Choline salicylate B; Choline salicylate [USAN:INN:BAN:JA

ium

105910_ALDRICH

105910_SIAL

18917-89-0; C07995; Magnesium salicylate; Magnesium salicylate anhydrous

18917-95-8; D00827; Magan (TN); Magnesium salicylate (USP); Magnesium salicylate tetrahydrate

2 Hydroxybenzoic Acid

2-Carboxyphenol

2-Carboxyphenol; 2-Hydroxybenzenecarboxylate; 2-Hydroxybenzenecarboxylic acid; 2-Hydroxybenzoate; 2-Hydroxybenzoic acid; Benzoic acid, 2-hydroxy-; Benzoic acid, o-hydroxy-; o-Carboxyphenol; o-Hydroxybenzoate; o-Hydroxybenzoic acid; Orthohydroxybenzoic aci

2-Carboxyphenol; 2-Hydroxybenzenecarboxylic acid; 2-Hydroxybenzoic acid; AI3-02407; Acido o-idrossibenzoico [Italian]; Acido salicilico [Italian]; Acidum salicylicum; BRN 0774890; Benzoic acid, 2-hydroxy-; Compound W; Domerine; Duofilm; Duoplant; Fostex

2-Carboxyphenol; 2-Hydroxybenzenecarboxylic acid; 2-Hydroxybenzoic acid; AI3-02407; ALPHA/BETA HYDROXY ACIDS (SALICYLIC ACID) (SEE ALPHA/BETA HYDROXY ACIDS); Acido o-idrossibenzoico [Italian]; Acido salicilico [Italian]; Acidum salicylicum; BRN 0774890; B

2-carboxyphenol; Benzoic acid, 2-hydroxy-; o-carboxyphenol; o-hydroxybenzoic acid

2-Carboxyphenol;2-Hydroxybenzenecarboxylate;2-Hydroxybenzenecarboxylic acid;2-Hydroxybenzoate;2-Hydroxybenzoic acid;Advanced Pain Relief Callus Removers;Advanced Pain Relief Corn Removers;Clear away Wart Remover;Compound W;Dr. Scholl'S Callus Removers;Dr.

2-HBA; 2-hydroxybenzoate; 2-hydroxybenzoic acid; 69-72-7; CPD-110; SA; o-hydroxybenzoate; o-hydroxybenzoic acid; salicylate; salicylic acid

2-hydroxy(1-14c)benzoic acid

2-Hydroxybenzenecarboxylic acid

2-hydroxybenzoate

2-Hydroxybenzoic acid

2-Hydroxybenzoic acid strontium salt (2:1); Benzoic acid, 2-hydroxy-, strontium salt (2:1); EINECS 208-386-4; LS-37685; Stroncylate; Strontisal; Strontium disalicylate; Strontium salicylate

2-Hydroxybenzoic Acid [for Biochemical Research]

2174-16-5; Arthricream (TN); D08501; Salicylic acid triethanolamine; Salicylic acid trolamine; Trolamine salicylate (USP)

247588_SIAL

27301_SIAL

3-Pyridinemethanol and salicylic acid; LS-131766; Pyridyl-3-methanol and salicylic acid; Ronicol and salicylic acid; Salicylic acid and 3-pyridinemethanol; Salicylic acid and pyridyl-3-methanol; Salicylic acid and ronicol

36364-49-5; D07293; Imidazole salicylate (INN); Selezen (TN)

4-(1H-Imidazol-1-ylmethyl)benzaldehyde

4-Chloromercuribenzoicacid

69-72-7

69-72-7; C00805; Salicylate; Salicylic acid; o-Hydroxybenzoic acid

7681-06-3

8052-31-1

84210_FLUKA

84210_SIAL

AB1002436

AC1L190M

AC1Q1HCK

AC1Q72IF

Acid, 2-Hydroxybenzoic

Acid, o-Hydroxybenzoic

Acid, ortho-Hydroxybenzoic

Acid, Salicylic

Acido o-idrossibenzoico

Acido o-idrossibenzoico [Italian]

Acido salicilico

Acido salicilico [Italian]

Acidum salicylicum

Advanced pain relief callus removers

Advanced pain relief corn removers

AI3-02407

AKOS000118979

Akurza Cream

Akurza Lotion

Alpha/Beta Hydroxy Acids (Glycolic Acid, Salicylic Acid)

ALPHA/BETA HYDROXY ACIDS (SALICYLIC ACID) (SEE ALPHA/BETA HYDROXY ACIDS)

Ammonium salicylate

AR-1E2203

ATA fraction 10, ammonium salt

benzoic acid, 2-hydroxy-

Benzoic acid, 2-hydroxy- (9CI)

Benzoic acid, 2-hydroxy-, compd. with morpholine (1:1); Deposal; Depot-Salicyl; EINECS 205-703-8; LS-144375; Morpholin salicylat [German]; Morpholine salicylate; Morpholine, compd. with salicylic acid (1:1); Morpholinium salicylate; Retarcyl; Salicylic ac

BENZOIC ACID,2-HYDROXY SALICYLIC ACID

BIDD:ER0602

Bis(2-hydroxybenzoato-O(sup 1),O(sup 2))-, (T-4)-cadmium; Bis(salicylato)cadmium; Cadmium disalicylate; Cadmium salicylate; Cadmium, bis(salicylato)-; EINECS 242-749-8; LS-48518

Bis(salicylato)lead; EINECS 239-839-4; LS-87675; Lead disalicylate; Lead salicylate; Lead(II) salicylate; Lead, bis(2-(hydroxy-KO)benzoato-KO)-, (T-4)-; Lead, bis(2-(hydroxy-kappaO)benzoato-kappaO)-, (T-4)-; Lead, bis(2-hydroxybenoato-O1,O2)-, (T-4)-; Lea

bmse000252

BRN 0774890

C00805

Calcium salicylate

Caswell No. 731

CCRIS 6714

CHEBI:16914

CHEBI:45521; CHEBI:9006; CHEBI:26597

CHEMBL424

Choline magnesium trisalicylate

Choline salicylate

Cholinesalicylate

CID338

Clear away wart remover

CMC_13852

Compound W

D00097

D020156

DAP000731

DB00936

DHS Sal Shampoo

Diethylamine salicylate

DivK1c_000301

DNC008510

Domerine

Dr. Scholl's Callus Removers

Dr. Scholl's Corn Removers

Dr. Scholl's Wart Remover Kit

Duofil Wart Remover

Duofilm

Duoplant

DuoPlant Gel

E9A559BE-383B-4F83-BC02-3031D03D558A

EINECS 200-712-3

EINECS 242-669-3; LS-187030; Magnesium Salicylate; Magnesium disalicylate; Magnesium salicylate anhydrous; Magnesium, bis(2-(hydroxy-kappaO)benzoato-kappaO)-, (T-4)-

EPA Pesticide Chemical Code 076602

Freezone

H0206

HSDB 672

Hydrisalic Gel

I04-0192

IDI1_000301

IDOCYL

Imidazole Salicylate (INN

InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10

Ionil

Ionil plus

Ionil-Plus

K 537

KBio1_000301

KBio2_001428

KBio2_003996

KBio2_006564

KBioSS_001428

Keralyt

Kyselina 2-hydroxybenzoova

Kyselina 2-hydroxybenzoova [Czech]

Kyselina salicylova

Kyselina salicylova [Czech]

Lithium salicylate

Lithium salicylate, tech.

LS-152427; Thieno(3,2-c)pyridine salicylate; Thieno(3,2-c)pyridine, 2-hydroxybenzoate

LS-190742

LS-2169

Magnesium salicylate

Magnesium Salicylate (USP)

Magnesium salicylate tetrahydrate

Magnesium salicylate tetrahydrate, tech.

MAGNESIUMSALICYLATE

Mediplast pads

MFCD00002439

MFCD00002440

MFCD00013097

MFCD00013976

MFCD00020256

MFCD00040674

MFCD00045805

MFCD00045807

MFCD00045813

MFCD00045815

MFCD00082325

MFCD00156979

MFCD00984876

MFCD01746271

MFCD01766176

MFCD03938378

MI)

MLS000069653

MolPort-001-769-476

N/A

NCGC00159447-02

NCGC00159447-04

NINDS_000301

NSC 180

NSC180

NSC629474

o Hydroxybenzoic Acid

O-carboxyphenol

O-hydroxybenzoic acid

Occlusal

Oprea1_040343

ortho Hydroxybenzoic Acid

ortho-Hydroxybenzoic Acid

Orthohydroxybenzoic acid

P&S Shampoo

phenol derivative, 7

Phenol-2-carboxylic acid

Potassium salicylate

Propa pH Peel-Off Acne Mask

Psoriacid-s-stift

Retarder SAX

Retarder W

Rutranex

S5922_SIGMA

S7401_SIGMA

S8519_SIGMA

SA

Salex Cream

Salex Lotion

Salicyclic acid

Salicylate

Salicylic acid & Sulfur Soap

Salicylic acid (6CI,8CI)

Salicylic acid (JP15/USP)

SALICYLIC ACID (SEE ALSO ALPHA HYDROXY ACIDS)

Salicylic acid (TN)

Salicylic acid collodion

Salicylic Acid Lithium Salt

Salicylic acid soap

Salicylic acid sodium salt

Salicylic acid USP (100 micron)

Salicylic acid [USAN:JAN]

Salicylic acid, 99%

Salicylic acid, 99+%

Salicylic acid, 99+%, ACS reagent

Salicylic acid, ACS

Salicylic acid, ACS, 99+%

Salicylic acid, sodium salt, 99+%

Salicylic acid, tech

Salicylic acid, tech.

Salicylic acid,medicinal

Salicylic acid-ring-UL-14C

SALICYLIC ACID; [69-72-7]

Salicylicacid

Saligel

Salonil

SAX

SBB052826

Sebucare

Sebulex

SGCUT00012

SILVER SALICYLATE

Silver salicylate hydrate

SILVERSALICYLATE

SMP2_000145

SMR000059163

Sodium 2-hydroxybenzoate

Sodium salicylate

Sodium Salicylate (JAN

Sodium salicylate, 99%

Spectrum_000948

STK258681

Stri-dex

to_000004

Trans-Ver-Sal

Triethanolamine salicylate

Trolamine Salicylate (USP)

UNII-O414PZ4LPZ

UPCMLD-DP126

UPCMLD-DP126:001

USP)

Verrugon

W398500_ALDRICH

WLN: QVR BQ

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) 1.87 3.11 -51.26 1 3 -1 60 137.114 1

Vendor Notes

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-B 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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Direct Reactome Annotations (via ChEBI)

Description Species
Conjugation of salicylate with glycine

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

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

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