UCSF

ZINC00056657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 12 Yes

Popular Name: 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride 4-(Aminomethyl)-5-(hydroxymethyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1173023-45-4 , 524-36-7 , 85-87-0 , [524-36-7] , [85-87-0]

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) -0.70 -3.97 -54.87 5 4 1 81 169.204 2 ↓
Lo Low (pH 4.5-6) -0.70 -3.7 -101.29 6 4 2 82 170.212 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 216 - 218 Acros Organics
Purity 95% Matrix Scientific
UniProt Database Links DAAA_BACLI; DAAA_BACSU; DAAA_BACYM; DAAA_LISIN; DAAA_LISM4; DAAA_LISMF; DAAA_LISMO; DAAA_LYSSH; DAAA_STAAC; DAAA_STAAM; DAAA_STAAN; DAAA_STAAR; DAAA_STAAS; DAAA_STAAW; DAAA_STAEQ; DAAA_STAES; DAAA_STAHA; PDLA_RHILO; PDX3_SCHPO; PDX3_YEAST; PDXH1_RALSO; PD ChEBI
Patent Database Links EP0951842; EP1679316; EP1787647; EP1790331; EP1872797; EP1908470; US2003013746; US2003017995; US2003181492; US2005267045; US2005272781; US2006199847; US2007155801; US2007189984; US2007238761; US2007243147; US2007249562; WO2005023198; WO2005077902; WO20071 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
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_25323 ChEBI
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamins B6 activation to pyridoxal phosphate

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