In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 9 | Yes |
Popular Name: 5-Aminolevulinic acid hydrochloride 5-Aminolevulinic acid hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-60-5 , 5451-09-2 , 9/2/5451 12:00:00 AM , [106-60-5] , [5451-09-2]
"5-Aminolevulinic acid hydrochloride, 98%"
106-60-5; 5-Amino-4-oxopentanoate; 5-Amino-4-oxovaleric acid; 5-Aminolevulinate; C00430
106-60-5; Aminolevulinic acid; D07567
35BEC718-C970-426A-9859-BF58284C60B4
5-ALA; aminolevulinic acid; dALA; delta-ALA; delta-aminolevulinic acid
5-Amino-4-ketovaleric acid hydrochloride
5-Amino-4-oxopentanoic acid HCl
5-Amino-4-oxopentanoic acid hydrochloride
5-Amino-4-oxopentanoic acid hydrochloride (5-Aminolevulinic acid hydrochloride)
5-Amino-4-oxopentanoic acid; 5ALA; CID 123608; SID 24890811
5-aminolevulinate; 5-ammonio-4-oxopentanoate; 5-ammonio-4-oxovalerate
5-Aminolevulinic acid (hydrochloride)
5-Aminolevulinic acid hydrochloride, 99%
5451-09-2; Aminolevulinic Acid; CPD000857229; SAM002589919
Aminolevulinic Acid Hydrochloride
Aminolevulinic Acid Hydrochloride (FDA
Aminolevulinic Acid; CPD000857229; SAM002589919
AMINOLEVULINICACIDHYDROCHLORIDE 5-
delta-Aminolevulinic acid hydrochloride
Levulinic acid, 5-amino- (8CI)
Pentanoic acid, 5-amino-4-oxo-
Pentanoic acid, 5-amino-4-oxo- (9CI)
pentanoic acid, 5-amino-4-oxo-, 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) | -1.93 | 1.06 | -70.69 | 3 | 4 | 0 | 85 | 131.131 | 4 | ↓ |
Mid Mid (pH 6-8) | -1.93 | 0.65 | -44.96 | 2 | 4 | -1 | 83 | 130.123 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.73e+02 g/l | DrugBank-approved |
MP | 145° | Matrix Scientific |
MP | 149-151°(dec.) | Oakwood Chemical |
Mp [°C] | 156 - 158 | Acros Organics |
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Purity | 98% | Fluorochem |
Therapy | antineoplastic | SMDC MicroSource |
Melting_Point | ca 156^ dec. | Alfa-Aesar |
UniProt Database Links | DCUP1_ARATH; DCUP1_ORYSJ; DCUP2_ARATH; DCUP2_ORYSJ; DCUP_ACIAC; DCUP_ACIAD; DCUP_ACIB3; DCUP_ACIB5; DCUP_ACIBC; DCUP_ACIBS; DCUP_ACIBT; DCUP_ACIBY; DCUP_ACIC1; DCUP_ACICJ; DCUP_ACIET; DCUP_ACISJ; DCUP_ACTP2; DCUP_ACTP7; DCUP_ACTPJ; DCUP_ACTSZ; DCUP_AERS4 | ChEBI |
PUBCHEM_PATENT_ID | EP0845457A1; US5945564; WO1997003042A1 | IBM Patent Data |
Patent Database Links | EP1510225; EP1650315; EP1731500; EP1741792; EP1743621; EP1878421; EP1938801; US2001051743; US2002183386; US2004106679; US2007196272; US2007203027; US2007218465; US2007231352; US2007249716; US2007249721; US2008057068; US2008064752; US2008076828; US20082925 | ChEBI |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-3937; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE FINE CRYSTALS WITH LUMPS | 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; 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_9430; REACT_9454; REACT_9463 | 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_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-3937; SUPPLIER_COMMENTS: WHITE FINE CRYSTALS WITH LUMPS | NIH Clinical Collection via PubChem |
Patent Database Links | US2005107471; US2007218465 | ChEBI |
Hazard | XI: Irritant | Acros Organics |
Purity | ¡Ý98% | APIChem |
No pre-computed analogs available. Try a structural similarity search.