Dexfenfluramine (+)-camphorate

HCID 44152151

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Basic information

CAS: 17325-68-7
Standard SMILES: CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O.CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1
InChIKey: GBMYZGXLAHAFPC-JGTDEUSISA-N
Molecular formula: C22H32F3NO4
Average molar mass: 431.5 g/mol
Monoisotopic mass: 431.22834299

Names & identifiers

Preferred name: Dexfenfluramine (+)-camphorate
IUPAC: (2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid

Names & synonyms

Dexfenfluramine (+)-camphorateA5F7LF38KWUNII-A5F7LF38KW97158-54-8Camphoric acid, compound with (S)-N-ethyl-alpha-methyl-3-(trifluoromethyl)phenethylamine (1:1)17325-68-7EINECS 306-384-9DTXSID40242740(1R,3S)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid--(2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (1/1)

Database identifiers

CAS: 17325-68-7、97158-54-8
PubChem CID: 44152151
DTXSID: DTXSID40242740
UNII: A5F7LF38KW
EC Number: 306-384-9

Properties

Computed structural properties

Topological polar surface area: 86.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 485

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