Basic information
- CAS
63939-65-1- Standard SMILES
C[N+](C)(C)CC#CCN1CCCC1=O- InChIKey
CANZROMYQDHYHR-UHFFFAOYSA-N- Molecular formula
- C11H19N2O+
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.14973823
Overview
Oxotremorine M is a quaternary ammonium ion. It has a role as a muscarinic agonist.
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
- IUPAC
- trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium
- English name
- OXOTREMORINE M
- Molecular formula
- C11H19N2O+
- Molecular weight
- 195.29
Names & synonyms
63939-65-1N,N,N-trimethyl-4-(2-oxopyrrolidin-1-yl)but-2-yn-1-aminiumVWS78J9ZUJN,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium2-Butyn-1-aminium, N,N,N-trimethyl-4-(2-oxo-1-pyrrolidinyl)-CHEBI:38322RefChem:857807Oxotremorine Moxotremorine-Mtrimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azaniumCHEMBL23957[3H]oxotremorine-M
Show more names
OXOTREMORINE METHIODIDEOXOTREMORINE M (OXOTREMORINE METHIODTrimethyl[4-(2-oxo-1-pyrrolidinyl)-2-butynyl]aminiumN,N,N-Trimethyl-4-(2-oxopyrrolidin-1-yl)-2-butyn-1-aminiumN,N,N-Trimethyl-4-(2-oxo-1-pyrolidinyl)-2-butyn-1-ammoniumiodideN,N,N-TRIMETHYL-4-(2-OXO-1-PYRROLIDINYL)-2-BUTYN-1-AMMONIUM IODIDEOxotremorine methiodide, N,N,N,-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-ammonium iodide
Spectrum_001982Tocris-1067OXO-MLopac-O-100UNII-VWS78J9ZUJLopac0_000954GTPL303KBioSS_002548
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 277
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 24 mg/mL
- form
- solid
- color
- white
- Water Solubility
- 2 O: · H2O: 24mg/mLethanol: 4.6mg/mL
- InChI
- 1S/C11H19N2O.HI/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14;/h6-10H2,1-3H3;1H/q+1;/p-1
- InChIKey
- VVLMSCJCXMBGDI-UHFFFAOYSA-M
- SMILES
- [I-].C[N+](C)(C)CC#CCN1CCCC1=O
- FDA UNII
- 78 J9ZUJ · VWS78J9ZUJ
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330
- Precautionary statements
- 262 · P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- ER9552000
- ridadr
- UN 2810 6.1/PG 2
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-24/25-45-36/37/39-28
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310+H330
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
- Precautionary statements
- P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.
Applications
UsesOxotremorine M is a small molecule agonist of muscarinic receptors.
Suppliers8 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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