Naftopidil dihydrochloride, (S)-

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Basic information

CAS: 1207878-32-7
Standard SMILES: COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1.Cl.Cl
InChIKey: HZVCEQMJXMUXJF-FJSYBICCSA-N
Molecular formula: C24H30Cl2N2O3
Average molar mass: 465.4 g/mol
Monoisotopic mass: 464.1633482

Names & identifiers

Preferred name: Naftopidil dihydrochloride, (S)-
IUPAC: (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride

Names & synonyms

Naftopidil dihydrochloride, (S)-UNII-5TFZ2FI9TDNaftopidil dihydrochloride, (+)-5TFZ2FI9TD1207878-32-74-(2-Methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-1-piperazineethanol dihydrochloride, (S)-1-Piperazineethanol, 4-(2-methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-, hydrochloride (1:1), (alphaS)-(S)-naftopidil dihydrochlorideQ272628431-PIPERAZINEETHANOL, 4-(2-METHOXYPHENYL)-.ALPHA.-((1-NAPHTHALENYLOXY)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-4-(2-METHOXYPHENYL)-.ALPHA.-((1-NAPHTHALENYLOXY)METHYL)-1-PIPERAZINEETHANOL DIHYDROCHLORIDE, (S)-

Database identifiers

CAS: 1207878-32-7
PubChem CID: 72941998
UNII: 5TFZ2FI9TD

Properties

Computed structural properties

Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 483

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Compound notes

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