Basic information
- CAS
54-30-8- Standard SMILES
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1- InChIKey
RYOOHIUJEJZCFT-UHFFFAOYSA-N- Molecular formula
- C19H32N2O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.24637827
Overview
2-[2-(diethylamino)ethylamino]-2-phenylacetic acid 3-methylbutyl ester is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- Camylofin
- IUPAC
- 3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
- English name
- Camylofine dihydrochloride
- Molecular formula
- C19H32N2O2
- Molecular weight
- 320.47
Names & synonyms
CamylofineCamylofin54-30-8AcamylophenineCamilofinaCamylofinumAnafortanDTXSID70464153-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate340B6Q764VDTXCID5026415N-(2-(Diethylamino)ethyl)phenylglycine isopentyl ester
Show more names
CAMYLOFIN DIHYDROCHLORIDEadoponavacanavadylavocanbelosinspasmocan
3-methylbutyl 2-(2-(diethylamino)ethylamino)-2-phenylacetateRefChem:123170A03AA03200-202-0AvapyrazoneCamylofin free baseNavadylNovospasmin
Database identifiers
- CAS
54-30-8- PubChem CID
- 5902
- DTXSID
DTXSID7046415- ChEMBL
CHEMBL253592- ChEBI
CHEBI:95216- UNII
- 340B6Q764V
- EC Number
- 200-202-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 1.5 · bp1.5 174-178°; bp4 165-180°
- Density
- 1.0539 · 1.0539 (rough estimate)
- refractive index
- 1.502 · 1.5020 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 10.02 · 10.02±0.25(Predicted)
- color
- Pale-yellow oil
- FDA UNII
- 340 B6Q764V · 340B6Q764V
- ATC code
- 3 AA03 · A03AA03
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- MB9625000
- Toxicity
- LD50 orl-mus: 760 mg/kg DMWOAX 76,479,51
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
Usesanticholinergic
Upstream & downstream products
Upstream raw materials
Suppliers28 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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