Basic information
- CAS
70-22-4- Standard SMILES
O=C1CCCN1CC#CCN1CCCC1- InChIKey
RSDOPYMFZBJHRL-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Overview
Oxotremorine is a N-alkylpyrrolidine.
Names & identifiers
- Preferred name
- Oxotremorine
- IUPAC
- 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
- English name
- OXOTREMORINE
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
OxotremorineOxytremorine70-22-41-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one5RY0UWH1JLDTXSID102202522-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-NSC-3304972-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-RefChem:389174DTXCID10142743200-728-0
Show more names
2’-oxopyrrolidino-1-pyrrolidino-4-butyne1-(4-pyrrolidin-1-ylbut-2-ynyl)-2-pyrrolidone1-(4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinon1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one1-[4-(Pyrrolidin-1-yl)-2-butynyl]pyrrolidin-2-one1-(4-(Pyrrolidin-1-yl)but-2-yn-1-yl)pyrrolidin-2-one1-(2-Oxopyrrolidin-1-yl)-4-(pyrrolidin-1-yl)-2-butyne
OxotremorinTremorine, oxo-2'-Oxopyrrolidino-1-pyrrolidino-4-butyneMLS0007662601-(4-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinoneCHEMBL76341-[4-(1-Pyrrolidinyl)-2-butynyl]-2-pyrrolidinoneEINECS 200-728-0
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Dissociation Constants8.4
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 124 °C0.1 · 124 °C0.1 mm Hg(lit.)
- Density
- 1 g/mL · 1 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.517(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- liquid
- pka
- 8.29 · 8.29±0.20(Predicted)
- color
- clear, light yellow
- Merck
- 13 · 13,7020
- FDA UNII
- 5 RY0UWH1JL · 5RY0UWH1JL
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
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 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 2 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
- F
- 10-23
- wgk
- 3
- rtecs
- UY5950100
- ridadr
- UN 2810 6.1/PG 1
- Toxicity
- LD50 ipr-rat: 4400 mg/kg TXAPA9 14,67,69
- risk_code
- 28-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T+,C
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H300-H314
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
General DescriptionOxotremorine [1-(-pyrrolidono)-4-pyrrolidino-2-butyne] has been regarded as a CNS muscarinicstimulant. Its action on the brain produces tremors inexperimental animals. It increases ACh brain levels in ratsup to 40% and has been studied as a drug in the treatment ofAlzheimer disease. Although earlier studies suggested thatthis approach of elevating levels of ACh to treat Alzheimerdisease is useful, this belief was highly disputed by manyresearchers.
Suppliers9 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海兰科化学有限公司
Related reactions
4 records
Compound notes
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