Registration Dossier
Registration Dossier
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EC number: 454-140-6 | CAS number: 376608-71-8
Reference substances
- IUPAC name:
- (1R)-2-(3,4-difluorophenyl)cyclopropan-1-aminium (2R)-2-hydroxy-2-phenylacetate
Inventory
- EC number:
- 454-140-6
- EC name:
- -
- CAS number:
- -
- Description:
- C3RO
- CAS number:
- 376608-71-8
Synonyms
- Names:
- 2-(3,4-difluorophenyl) cyclopropylamine mandelate
- AR-C124896RO
- Identifier:
- IUPAC name
- (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenylacetate
- Identifier:
- IUPAC name
- (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine (R)-2-hydroxy-2-phenyl acetate
- Identifier:
- IUPAC name
- trans-(1R,2S)-2-(3,4-difluorophenyl-cyclopropanaminium (2R)-2-hydroxy-2-phenylethanoate
- Identifier:
- other: Molecular formula
- C17 H17 F2 N O3
- Identifier:
- other: Molecular formula
- C17H17F2NO3
- Identifier:
- other: Molecular formula
- C9H9F2N * C8H8O3
- Identifier:
- other: SMILES notation
- N[C@H]1[C@H](C2=CC=C(F)C(F)=C2)C1.O=C(O)[C@H](O)C3=CC=CC=C3
- Identifier:
- other: SMILES notation
- [NH3+][C@@H]2C[C@H]2c1cc(F)c(F)cc1.[O-]C(=O)[C@H](O)c1ccccc1
- trans-(1R,2S)-2-(3,4-difluorophenyl-cyclopropanaminium (2R)- 2-hydroxy-2-phenylethanoate
Molecular and structural information
- Molecular formula:
- C9H9F2N*C8H8O3
- Molecular weight:
- 321.33
- SMILES notation:
- [NH3+][C@@H]2C[C@H]2c1cc(F)c(F)cc1.[O-]C(=O)[C@H](O)c1ccccc1
- InChl:
- InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1
- Structural formula:
Related substances
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