| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 14 | Yes |
Popular Name: Aminohippuric acid Aminohippuric acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61-78-9 , 61-78-9, 94-16-6 [aminohi , 61-78-9, 94-16-6 [aminohippurate sodium] , 94-16-6 , [61-78-9]
2-(4-Aminobenzamido)acetic acid
2-[(4-aminophenyl)formamido]acetic acid
2-[4-Aminophenylcarboxyamino]-acetic acid
4-Aminohippuric acid sodium salt hydrate
4-Aminohippuric acid, sodium salt monohydrate
61-78-9; Aminohippuric acid (USP); D06890; p-Aminohippuric acid
Aminohippuric Acid (USP); Aminohippurate Sodium (FDA
Aminohippuric acid sodium salt
N-[(4-aminophenyl)carbonyl]glycine
P-AMINOHIPPURIC ACID SODIUM SALT
Sodium 4-aminohippurate hydrate
Sodium 4-aminohippurate hydrate, 98%
USP); Aminohippuric Acid (USP); P-Aminohippurate Sodium (JAN)
| 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) | -1.46 | 1.51 | -45.25 | 3 | 5 | -1 | 95 | 193.182 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 123-127? | Alfa-Aesar |
| Melting_Point | 123-127° | Alfa-Aesar |
| Mp [°C] | 198 - 202 | Acros Organics |
| MP | 199 - 200 | Enamine Building Blocks |
| MP | 199...200 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 3.13e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ABCA8_HUMAN; CP1B1_HUMAN; CP1B1_MOUSE; CP1B1_RAT; GON4L_HUMAN; GON4L_MOUSE; GON4L_RAT; HBP1_BOVIN; HBP1_HUMAN; HBP1_MOUSE; HBP1_PONAB; HBP1_RAT; NPT4_HUMAN; OSCP1_HUMAN; OSTA_LEUER; OSTB_LEUER; PH4H_BOVIN; PH4H_CAEEL; PH4H_CAUCR; PH4H_CHRVO; PH4H_DICDI; P | ChEBI |
| Melting_Point | ca 200? dec. | Alfa-Aesar |
| Melting_Point | ca 200° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| UniProt Database Links | NPT4_HUMAN; OSCP1_HUMAN; OSTA_LEUER; OSTB_LEUER; S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT; S22A7_RAT; S22A8_MOUSE; S22A8_RAT; S47A1_RAT | ChEBI |
| 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; 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: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_22250 | ChEBI |
| Therapy | renal function diagnosis | SMDC Pharmakon |
| 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 |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S22A6-1-E | Solute Carrier Family 22 Member 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9400 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S22A6_MOUSE | Q8VC69 | Solute Carrier Family 22 Member 6, Mouse | 9332.54301 | 0.50 | Binding ≤ 10μM |
| S22A6_HUMAN | Q4U2R8 | Solute Carrier Family 22 Member 6, Human | 6020 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Organic anion transport |
| Description | Species |
|---|---|
| Organic anion transport |
No pre-computed analogs available. Try a structural similarity search.