Bay-1433
Basic information
- CAS
15422-00-1- Standard SMILES
CC[NH+](CC)CCCOC(=O)C(O)(c1ccccc1)C(C)C.[Cl-]- InChIKey
JROFPAJLIMXUII-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Names & identifiers
- Preferred name
- Bay-1433
- IUPAC
- diethyl-[3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl]azanium chloride
Names & synonyms
NSC 2635583-(Diethylamino)propyl isopropyl(phenyl)glycolate hydrochlorideUNII-I373MDV6WRI373MDV6WRBenzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl ester HClMANDELIC ACID, alpha-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE15422-00-1BAY-1433Benzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl ester hydrochloride3-(DIETHYLAMINO)PROPYL ALPHA-HYDROXY-ALPHA-(1-METHYLETHYL)BENZENEACETATEMANDELIC ACID, .ALPHA.-ISOPROPYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDEBENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-(1-METHYLETHYL)-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE (1:1)
Show more names
RefChem:199711Benzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 3-(diethylamino)propyl ester hydrochloride (9CI)BENZENEACETIC ACID, ALPHA-HYDROXY-ALPHA-(1-METHYLETHYL)-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE (1:1)NSC-263558
Database identifiers
- CAS
15422-00-1- PubChem CID
- 27276
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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