Basic information
- CAS
134-53-2- Standard SMILES
CCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1.O=P(O)(O)O- InChIKey
YHASIXBUOZWGHL-UHFFFAOYSA-N- Molecular formula
- C18H32NO7P
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.19163936
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-(hydroxymethyl)-, 3-(diethylamino)-2,2-dimethylpropyl ester, phosphate (1:1) (salt)
- IUPAC
- [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate;phosphoric acid
- English name
- Amprotropine
- Molecular formula
- C18H32NO7P
- Molecular weight
- 405.422941
Names & synonyms
AMPROTROPINE PHOSPHATE134-53-26831EK981YRefChem:916863Benzeneacetic acid, alpha-(hydroxymethyl)-, 3-(diethylamino)-2,2-dimethylpropyl ester, phosphate (1:1) (salt)SyntropanAP 407UNII-6831EK981Y3-Diethylamino-2,2-dimethylpropyl tropate phospate1-Propanol, 3-(diethylamino)-2,2-dimethyl-, tropate, phosphated,l-Tropasaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol phosphat [German]SCHEMBL250070
Show more names
Amprotropine
CHEMBL4297085DTXSID50928381AMPROTROPINE PHOSPHATE [MI]d,l-Tropasaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol phosphatTropic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, phosphate (1:1)Q27264201Phosphoric acid--3-(diethylamino)-2,2-dimethylpropyl 3-hydroxy-2-phenylpropanoate (1/1)
Database identifiers
- CAS
134-53-2- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 142 · 142-145°
- form
- solid
- color
- Bitter crystals
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6831 EK981Y · 6831EK981Y
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 51mg/kg
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
- Toxicity
- LD50 intravenous in mouse: 51mg/kg
Chemistry & industry
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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