Naloxone hydrochloride dihydrate

C₁₉H₂₆ClNO₆CAS 51481-60-8399.87 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Ketone Phenol Tertiary amine

Properties

Molecular formula: C₁₉H₂₆ClNO₆
Molar mass: 399.87 g/mol
Exact mass: 399.1449 Da
logP: 0.07Crippen estimate
Polar surface area: 133.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2
Stereocentres: S, R, S, Rin SMILES atom order

Identifiers

CAS number

51481-60-8

SMILES

C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl.O.O

InChIKey

TXMZWEASFRBVKY-IOQDSZRYSA-N

InChI

InChI=1S/C19H21NO4.ClH.2H2O/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;;;/h2-4,14,17,21,23H,1,5-10H2;1H;2*1H2/t14-,17+,18+,19-;;;/m1.../s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, dihydrate, (5α)-
Nyxoid

Work with Naloxone hydrochloride dihydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Naloxone hydrochloride357-08-495 % similar Naltrexone hydrochloride16676-29-273 % similar Naltrexone16590-41-369 % similar Nalmefene hydrochloride58895-64-061 % similar Methylnaltrexone bromide73232-52-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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