Naproxen 2-piperazineethanol

HCID 185019

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Basic information

CAS: 90294-25-0
Standard SMILES: COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.OCCN1CCNCC1
InChIKey: ONCMPMFRKIGYFG-FVGYRXGTSA-N
Molecular formula: C20H28N2O4
Average molar mass: 360.4 g/mol
Monoisotopic mass: 360.20490738

Names & identifiers

Preferred name: Naproxen 2-piperazineethanol
IUPAC: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-piperazin-1-ylethanol

Names & synonyms

Naproxen 2-piperazineethanol90294-25-0RefChem:1092274Naproxen 2-piperazine ethanolDTXSID80920474(2S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid--2-(piperazin-1-yl)ethan-1-ol (1/1)2-(6-Methoxynaphthalen-2-yl)propanoic acid--2-(piperazin-1-yl)ethan-1-ol (1/1)

Database identifiers

CAS: 90294-25-0
PubChem CID: 185019
DTXSID: DTXSID80920474

Properties

Computed structural properties

Topological polar surface area: 82 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 348

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