Methylatropine bromide
Basic information
- CAS
2870-71-5- Standard SMILES
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-]- InChIKey
XMLNCADGRIEXPK-ZNHDNBJUSA-M- Molecular formula
- C18H26BrNO3
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.10961
Overview
See also: Atropine methyl bromide (annotation moved to).
Names & identifiers
- Preferred name
- Methylatropine bromide
- IUPAC
- [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
- English name
- Atropine methyl bromide
- Molecular formula
- C18H26NO3.Br
- Molecular weight
- 384.31
Names & synonyms
2870-71-5ATROPINE METHYL BROMIDEAtropine methylbromideN-Methylatropine bromideAtropine methobromideMethylatropine bromideAtropine methyl (bromide)MintussinAtropine methylbromide [JAN]DTXSID204510363IFT0IX9NMydriasin
Show more names
methylatropineATROSCINEtropinAtropinmethylbromid,bromide,endo-(+/-)-atropinemethobromideAtropine Impurity 14methylatropinebromide
endo-3-((3-Hydroxy-2-phenylpropanoyl)oxy)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromideMethylatropinium bromide8-Methylatropinium bromideAtropine methylbromide (JAN)NSC-61810(1R,3r,5S)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromideMethylatropini bromidumAtropinum methylobromatum
Database identifiers
- CAS
2870-71-5- PubChem CID
- 656597
- DTXSID
DTXSID2045103- ChEMBL
CHEMBL2146143
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 222 · 222-223°
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- CAS DataBase Reference
- 2870 · 2870-71-5(CAS DataBase Reference)
- FDA UNII
- 63 IFT0IX9N · 63IFT0IX9N
- ATC code
- 3 BB02 · A03BB02
- EPA Substance Registry System
- Methylatropine bromide (2870-71-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50/53
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
- tsca
- TSCA listed
- rtecs
- YM3720000
- ridadr
- UN 3077 9/PG 3
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 36-60-61
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesN-Methylatropine Bromide is used in the inhibition of prostaglandin EP2 receptor accelerating functional recovery after neurodegeneration and brain inflammation.
Suppliers
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Related reactions
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Compound notes
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