Nalmefene hydrochloride

C₂₁H₂₆ClNO₃CAS 58895-64-0375.89 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether Phenol Tertiary amine

Properties

Molecular formula: C₂₁H₂₆ClNO₃
Molar mass: 375.89 g/mol
Exact mass: 375.1601 Da
logP: 2.93Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: S, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed95.2% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H317 May cause an allergic skin reaction85.7% of notifiers
H332 Harmful if inhaled90.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled81% of notifiers

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

58895-64-0

SMILES

C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl

InChIKey

GYWMRGWFQPSQLK-OPHZJPRHSA-N

InChI

InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

Weigh it out

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

Names and synonyms

4 names

Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride (1:1), (5α)-
Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, (5α)-
NIH 10365
Revex

Work with Nalmefene hydrochloride

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

Naltrexone hydrochloride16676-29-280 % similar Naltrexone16590-41-375 % similar Naloxone hydrochloride357-08-463 % similar Naloxone hydrochloride dihydrate51481-60-861 % similar Naloxegol oxalate1354744-91-441 % similar Methylnaltrexone bromide73232-52-734 % similar Butorphanol tartrate58786-99-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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