Metabolite Epinephrine sulfate
- Name
- Epinephrine sulfate
- Description
- Not Available
- Structure
Structure for Epinephrine sulfate
- Synonyms
- Not Available
- UNII
- T074675S0E
- CAS number
- Not Available
- Weight
- Average: 263.268
Monoisotopic: 263.046357843 - Chemical Formula
- C9H13NO6S
- InChI Key
- AELFRHHZGTVYGJ-QMMMGPOBSA-N
- InChI
- InChI=1S/C9H13NO6S/c1-10-5-8(12)6-2-3-9(7(11)4-6)16-17(13,14)15/h2-4,8,10-12H,5H2,1H3,(H,13,14,15)/t8-/m0/s1
- IUPAC Name
- {2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl}oxidanesulfonic acid
- SMILES
- CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1
- Reactions
- External Links
- Human Metabolome Database
- HMDB0001876
- ChemSpider
- 2299690
- ChEBI
- 89878
- ZINC
- ZINC000012495314
- Predicted Properties
Property Value Source Water Solubility 2.55 mg/mL ALOGPS logP -1.6 ALOGPS logP -0.75 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) -2.3 Chemaxon pKa (Strongest Basic) 9.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 116.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 59.22 m3·mol-1 Chemaxon Polarizability 24.3 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon