guvacoline
guvacoline structure
|
Common Name | guvacoline | ||
|---|---|---|---|---|
| CAS Number | 495-19-2 | Molecular Weight | 222.08000 | |
| Density | 1.074g/cm3 | Boiling Point | 209.1ºC at 760mmHg | |
| Molecular Formula | C7H12BrNO2 | Melting Point | 144ºC | |
| MSDS | N/A | Flash Point | 80.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | guvacoline |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.074g/cm3 |
|---|---|
| Boiling Point | 209.1ºC at 760mmHg |
| Melting Point | 144ºC |
| Molecular Formula | C7H12BrNO2 |
| Molecular Weight | 222.08000 |
| Flash Point | 80.2ºC |
| Exact Mass | 221.00500 |
| PSA | 38.33000 |
| LogP | 1.36600 |
| Vapour Pressure | 0.207mmHg at 25°C |
| Index of Refraction | 1.474 |
| InChIKey | DYPLDWLIOGXSSE-UHFFFAOYSA-N |
| SMILES | COC(=O)C1=CCCNC1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 7 | |
CAS#:498-96-4
CAS#:169105-89-9
CAS#:86447-11-2
CAS#:115103-54-3
CAS#:163438-09-3
CAS#:215725-59-0![methyl 1-azabicyclo[2.2.2]octane-3-carboxylate structure](https://image.chemsrc.com/caspic/016/38206-86-9.png)
CAS#:38206-86-9This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Apparent binding affinity at rat cortical muscarinic acetylcholine receptor by the di...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL749939
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Name: Inhibition of binding of radioactive N-propylbenzilycholine mustard ([3H]-PrBCM) to r...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL747407
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Name: Affinity to displace radioligand [3H]oxotremorine (OXO) at muscarinic acetylcholine r...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL749931
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Name: Ratio of [3H]N-methylscopolamine (NMS) to [3H]oxotremorine (OXO) at muscarinic acetyl...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL745462
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Name: Ability to displace radioligand [3H]N-methylscopolamine (NMS) at muscarinic acetylcho...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL749929
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Name: Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibit...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M3
External Id: CHEMBL749054
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Name: Inhibition of GABA uptake from rat diencephalon-midbrain,
Source: ChEMBL
Target: N/A
External Id: CHEMBL679556
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Name: Ratio of apparent binding affinities of NMS and Oxo-M
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL746864
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Name: Apparent binding affinity to rat cortical muscarinic acetylcholine receptor by the di...
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL749938
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Norarecoline |
| methyl 1,2,3,6-tetrahydropyridine-5-carboxylate |
| methyl 1,2,5,6-tetrahydropyridine-3-carboxylate |
| Guvacoline |
| guvacine methyl ester |
| 5-methoxycarbonyl-1,2,3,6-tetrahydropyridine |
| methyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate |
| 3-Methoxycarbonyl-1,2,5,6-tetrahydropyridine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of guvacoline? |
| A: Molecular weight of guvacoline is 222.08000. |
| Q: What is the molecular formula of guvacoline? |
| A: Molecular formula of guvacoline is C7H12BrNO2. |
| Q: What is the InChIKey of guvacoline? |
| A: InChIKey of guvacoline is DYPLDWLIOGXSSE-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of guvacoline? |
| A: Polar surface area (PSA) of guvacoline is 38.33000. |
| Q: What are the downstream products of guvacoline? |
| A: Related downstream products(CAS) of guvacoline: 498-96-4;169105-89-9;86447-11-2;115103-54-3;163438-09-3;215725-59-0;38206-86-9. |
| Q: What is the boiling point of guvacoline? |
| A: Boiling point of guvacoline is 209.1ºC at 760mmHg. |
| Q: What is the LogP of guvacoline? |
| A: LogP of guvacoline is 1.36600. |
| Q: What is the melting point of guvacoline? |
| A: Melting point of guvacoline is 144ºC. |
| Q: What is the SMILES notation of guvacoline? |
| A: SMILES notation of guvacoline is COC(=O)C1=CCCNC1. |
| Q: What is the CAS number of guvacoline? |
| A: CAS number of guvacoline is 495-19-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |