3-Hydroxy Medetomidine
Basic information
- CAS
128366-50-7- Standard SMILES
Cc1c(CO)cccc1C(C)c1cnc[nH]1- InChIKey
HTQCEFAVROSRIW-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- 3-Hydroxy Medetomidine
- IUPAC
- [3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol
- English name
- 3-Hydroxy MedetoMidine
- Molecular formula
- C13H16N2O
- Molecular weight
- 216.28
Names & synonyms
3-Hydroxy Medetomidine128366-50-7Hydroxy Medetomidine3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol{3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylphenyl}methanol(3-(1-(1H-imidazol-5-yl)ethyl)-2-methylphenyl)methanol3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol;SCHEMBL787299orb2283110SCHEMBL13258978SCHEMBL29626322
Show more names
Medetomidine RC4Benzenemethanol, 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-
DTXSID30565950MFCD24595923DA-24468FH167022PD094744CS-0107513H52715T85149
Database identifiers
- CAS
128366-50-7- PubChem CID
- 14950643
- DTXSID
DTXSID30565950
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 195 · 195-197°C
- Boiling point
- 446.2 · 446.2±40.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.26 · 14.26±0.10(Predicted)
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesA metabolite of Medetomidine (M203250).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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