| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 11 | Yes |
Popular Name: 3-HYDROXYANTHRANILIC ACID 3-HYDROXYANTHRANILIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114914-49-7 , 4920-81-4 , 548-93-6 , [548-93-6]
2,3-dihydro-3-oxo-anthranilate; 2,3-dihydro-3-oxo-anthranilic acid; CPD-9520
2-Amino-3-hydroxy-benzoic acid
2-Amino-3-hydroxy-benzoic acid; 2-Amino-3-hydroxybenzoic acid; 3-Ohaa; 3-Oxyanthranilic acid
2-Amino-3-hydroxybenzoic acid hydrochloride
3-HYDROXY-ANTHRANILATE; 3-hydroxyanthranilate; 3-hydroxyanthranilic acid; 548-93-6
3-Hydroxy-anthranilsaeure [German]
3-Hydroxyanthranilate; 3-Hydroxyanthranilic acid; 548-93-6; C00632
3-Hydroxyanthranilic Acid Hydrochloride
3-Hydroxyanthranilic acid, 97%
3-HydroxyanthranilicAcidHydrochloride
Benzoic acid, 2-amino-3-hydroxy-
benzoic acid, 2-amino-3-hydroxy-, hydrochloride
| 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) | 1.20 | 0.41 | -45.93 | 3 | 4 | -1 | 86 | 152.129 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.05e+01 g/l | DrugBank-experimental |
| Mp [°C] | 230.4 - 231.1 | Acros Organics |
| MP | 240 | TCI |
| UniProt Database Links | 3HAO1_ASPCL; 3HAO1_ASPFC; 3HAO1_ASPFU; 3HAO1_ASPOR; 3HAO2_ASPCL; 3HAO2_ASPFC; 3HAO2_ASPFU; 3HAO2_ASPOR; 3HAO_ASHGO; 3HAO_ASPNC; 3HAO_ASPTN; 3HAO_BACAH; 3HAO_BACC1; 3HAO_BACC3; 3HAO_BOVIN; 3HAO_BURCJ; 3HAO_BURPP; 3HAO_BURS3; 3HAO_CAEBR; 3HAO_CAEEL; 3HAO_CA | ChEBI |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| H phrase | H351: Suspected of causing cancer; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash wi | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| Reactome Database Links | REACT_2234; REACT_612 | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| Patent Database Links | US2007184114; US2008076796 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Tryptophan catabolism |
No pre-computed analogs available. Try a structural similarity search.