UCSF

ZINC00074840

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) 1.24 2.52 -37.79 3 2 1 37 166.244 3
Hi High (pH 8-9.5) 1.24 1.25 -3.25 2 2 0 32 165.236 3

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.414 Bitter DB
Mp [°C] 217 - 220 Acros Organics
Therapy bronchodilator, decongestant SMDC MicroSource
H phrase H302: Harmful if swallowed Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S25: Avoid contact with eyes. Acros Organics
Hazard XN: Harmful Acros Organics

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