Methylatropine nitrate
Basic information
- CAS
52-88-0- Standard SMILES
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]- InChIKey
NEDVJZNVOSNSHF-ZNHDNBJUSA-N- Molecular formula
- C18H26N2O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17908655
Overview
See also: Atropine methyl nitrate (annotation moved to).
Names & identifiers
- Preferred name
- Methylatropine nitrate
- IUPAC
- [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate nitrate
- English name
- Atropine methyl nitrate
- Molecular formula
- C18H26NO3.NO3
- Molecular weight
- 366.41
Names & synonyms
METHYLATROPINE NITRATE52-88-0Atropine methonitrateAtropine methyl nitrateEumydrinEkomine8-Methylatropinium nitrateN-Methylatropine nitrateHarvatrateAtropine methylnitrateMethonitrate d'atropineMetonitrato de atropina
Show more names
D01077europenmetanitemetropineeumidrinaeumydrineEkomine (tn)
Methylatropine (nitrate)Methylatropine nitrate [USAN]DTXSID0045543Atropine methyl (nitrate)Atropine methonitrate [INN]Methylatropine nitrate (USAN)MLS000028616Q48D9J47K2
Database identifiers
- CAS
52-88-0- PubChem CID
- 657381
- DTXSID
DTXSID0045543- ChEMBL
CHEMBL516476- UNII
- Q48D9J47K2
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility>55 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section172.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 163 °C · 163°C
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- powder
- color
- white
- Merck
- 875 · 875
- CAS DataBase Reference
- 52 · 52-88-0(CAS DataBase Reference)
- FDA UNII
- 48 D9J47K2 · Q48D9J47K2
- EPA Substance Registry System
- Methylatropine nitrate (52-88-0)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H330
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
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CK2800000
- ridadr
- 1544
- Toxicity
- LD50 oral in rat: 1902mg/kg
- risk_code
- 22-26/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,T+
- safety_code
- 22-36-45-25
- Hazard statements
- H300+H330
- Precautionary statements
- P260-P264-P284-P301+P310-P310
Chemistry & industry
Applications
UsesAtropine methyl nitrate has been used to suppress mucus production and respiratory secretions in rats. It has also been used to study its effects on xanomeline-induced suppression of serum tumor necrosis factor.
Usesantibacterial
Usescephalosporin antimicrobial
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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