| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Pyridoxine Pyridoxine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 12001-77-3 , 27280-85-9 , 58-56-0 , 65-23-6 , 74536-44-0 , [58-56-0] , [65-23-6] , [74536-44-0]
(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
(5-Hydroxy-6-methylpyridine-3,4-diyl)dimethanol 2-oxopentanedioate
2-Methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine
2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine; 65-23-6; pyridoxine; vitamin B6
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine
2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin
2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin [German]
2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine
2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine
2-methyl-4,5-dimethylol-pyridin-3-ol
2-Picoline-4,5-dimethanol, 3-hydroxy-
2B3E07D2-E4CC-4CC5-B085-6070BA01F9F0
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydro
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine
3-Hydroxy-4,5-dihydroxymethyl-2-methylpyridine hydrochloride
3-Hydroxy-4,5-dimethylol-.alpha.-picoline hydrochloride
3-Hydroxy-4,5-dimethylol-alpha-picoline
3-Hydroxy-4,5-dimethylol-alpha-picoline hydrochloride
4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol
4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol hydrochloride
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
4,5-bis(hydroxymethyl)-2-methylpyridine-3-ol
4-Deoxypyridoxine 5'-phosphate
5-Hydroxy-6-methyl-3,4-pyridinedicarbinol hydrochloride
5-Hydroxy-6-methyl-3,4-pyridinedimethanol
5-Hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride
5-Hydroxy-6-methyl-3,4-pyridinedimethanol, hydrochloride
58-56-0; D02179; Hexa-betalin (TN); Pyridoxine hydrochloride (JP16/USP)
58-56-0; Prestwick_925; Pyridoxine hydrochloride
65-23-6; C00314; Pyridoxine; Pyridoxol
65-23-6; D08454; Pyridoxine (INN); Vitamin B6 (TN)
74536-44-0; D08186; Metadoxil (TN); Metadoxine
CHEBI:14981; CHEBI:8671; CHEBI:26429
INN); Pyridoxine Hydrochloride (FDA
Pyridoxine hydrochloride (JP15/USP)
Pyridoxine Hydrochloride [58-56-0]; (Vitamin B6)
Pyridoxine hydrochloride [USAN:JAN]
Pyridoxine hydrochloride, 99%, extra pure
PYRIDOXINE HYDROCHLORIDE, U.S.P.
PYRIDOXINE HYDROCHLORIDE; [58-56-0]
Pyridoxine-alpha-ketoglutarate
Pyridoxine-HCl Microencapsulated
| 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) | -0.55 | -4.67 | -9.01 | 3 | 4 | 0 | 74 | 169.18 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -3.9 | -45.3 | 2 | 4 | -1 | 76 | 168.172 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.55 | -4.25 | -28.78 | 4 | 4 | 1 | 75 | 170.188 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.55 | -3.49 | -23.81 | 3 | 4 | 0 | 78 | 169.18 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; H2O: 0.1 g/mL at 20 °C, clear, colorless | Indofine |
| ALOGPS_SOLUBILITY | 1.61e+01 g/l | DrugBank-nutriceuticals |
| MP | 159 - 162 | Enamine Building Blocks |
| MP | 159-162° | Oakwood Chemical |
| MP | 159...162 | Enamine Building Blocks |
| MP | 207 | TCI |
| Mp [°C] | 214 | Acros Organics |
| M.P | 214-215 °C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | AL7A1_HUMAN | ChEBI |
| UniProt Database Links | AL7A1_HUMAN; E4PD_AERHH; E4PD_AERS4; E4PD_ALISL; E4PD_ALTMD; E4PD_CITK8; E4PD_COLP3; E4PD_CROS8; E4PD_ECO24; E4PD_ECO27; E4PD_ECO45; E4PD_ECO55; E4PD_ECO57; E4PD_ECO5E; E4PD_ECO7I; E4PD_ECO81; E4PD_ECO8A; E4PD_ECOBW; E4PD_ECODH; E4PD_ECOHS; E4PD_ECOK1; E4 | ChEBI |
| Indications | alcohol abuse | KeyOrganics Bioactives |
| Melting_Point | ca 206? dec. | Alfa-Aesar |
| Melting_Point | ca 206° dec. | Alfa-Aesar |
| Patent Database Links | EP0951842; EP1398316; EP1459746; EP1609462; EP1679316; EP1693067; EP1693369; EP1716766; EP1747786; EP1790331; EP1808177; EP1859835; EP1875816; EP1889625; EP1908470; EP1932514; EP1949906; EP1983044; US2005009870; US2005014807; US2005080087; US2005256031; U | ChEBI |
| Patent Database Links | EP1647273; EP1666019; EP1671550; EP1952798; US2003083383; WO2005049618 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| 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_25109 | 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 | US4439438 | IBM Patent Data |
| Purity | USP24 | APIChem |
| Target | Vitamin | Selleck Chemicals |
| Therapy | vitamin B6, enzyme cofactor | SMDC Iconix |
| Hazard | XI: Irritant | Acros Organics |
| Description | Species |
|---|---|
| Vitamins B6 activation to pyridoxal phosphate |
|
