Pamine
Basic information
- CAS
155-41-9- Standard SMILES
C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12- InChIKey
LZCOQTDXKCNBEE-UHFFFAOYSA-N- Molecular formula
- C18H24NO4+
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.17053325
Overview
pamine has been reported in Datura stramonium with data available.
Names & identifiers
- Preferred name
- Pamine
- IUPAC
- (9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
- English name
- Methscopolamine bromide
- Molecular formula
- C18H24BrNO4
- Molecular weight
- 398.29
Names & synonyms
PamineRefChem:1094298(9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.02,4)nonan-7-yl) 3-hydroxy-2-phenylpropanoatePamine BromideNSC61809(-)-Tropate(ester)Scopolammonium, bromideScopolamin methylbromideMethscopolamine methylbromideAmpyroxMescopilParaspan
Show more names
HYOSCINE METHYL BROMIDESCOPOLAMINE METHYL BROMIDE(-)-Scopolamine methobromideholopanholopon
RestropinBlocanDiopalNutropCHEMBL293927Neo-AvagalLescopine bromideEpoxymethamine bromide
Database identifiers
- CAS
155-41-9- PubChem CID
- 4120
- ChEMBL
CHEMBL107979、CHEMBL293927- Nikkaji
- J391.612J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 454
Physicochemical properties
- Melting point
- 214 · 214-217 °C (decomp)
- refractive index
- -24 ° · -24 ° (C=1, H2O)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- powder
- color
- white
- optical activity
- 25 · [α]25/D 25°, c = 5 in H2O(lit.)
- Water Solubility
- 2 O: · H2O: 50mg/mL
- Merck
- 14 · 14,6003
- Stability
- Hygroscopic
- InChIKey
- CXYRUNPLKGGUJF-RAFJPFSSSA-M
- SMILES
- [Br-].[H][C@]12C[C@@H](C[C@]([H])([C@@]3([H])O[C@@]13[H])[N+]2(C)C)OC(=O)[C@H](CO)c4ccccc4
- CAS DataBase Reference
- 155 · 155-41-9
- FDA UNII
- 51 LK7WL · RTN51LK7WL
- EPA Substance Registry System
- 3 · 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide (1:1), (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)- (155-41-9)
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YM3675000
- ridadr
- UN 1544 6.1/PG 3
- hs_code
- 29399990
- risk_code
- 23/24/25-50/53-20/21/22-20/21
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- T,N,Xn
- safety_code
- 36/37/39-45-61-60-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H312+H332-H400
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Acute 1
- Precautionary statements
- P261-P271-P273-P280-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
UsesMethscopolamine bromide is the methylated derivative of Scopolamine, a muscarinic antagonist that is similar to acetylcholine. It have been used for the treatment of peptic ulcers by reducing acid secretion of the stomach and is used to treat morning sickness.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Scopolamine methyl bromide is a quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide. It has a role as a muscarinic antagonist, an antiemetic, an antispasmodic drug and a parasympatholytic. It is a quaternary ammonium salt and a bromide salt. It is functionally related to a scopolamine.
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Compound notes
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