chempirical

Naltrexone hydrochloride

C20H24ClNO4CAS 16676-29-2377.87 g/mol

Open in Covalent MOL file
HClOHOOHNO
AlcoholEtherKetonePhenolTertiary amine

Properties

Molecular formula
C20H24ClNO4
Molar mass
377.87 g/mol
Exact mass
377.1394 Da
logP
1.95Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16676-29-2
SMILES
Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey
RHBRMCOKKKZVRY-ITLPAZOVSA-N
InChI
InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1

Weigh it out

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

Names and synonyms

10 names
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, hydrochloride (1:1), (5α)-
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxy-, hydrochloride
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, hydrochloride, (5α)-
  • EN 1639A
  • NIH 8503
  • Trexan
  • Nalorex
  • Antaxone
  • Depade
  • ReVia

Work with Naltrexone 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Naltrexone16590-41-3Free base

Similar compounds

Nalmefene hydrochloride58895-64-080 % similar Naloxone hydrochloride357-08-476 % similar Naloxone hydrochloride dihydrate51481-60-873 % similar Methylnaltrexone bromide73232-52-745 % similar Naloxegol oxalate1354744-91-443 % similar Butorphanol tartrate58786-99-536 % similar

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

Same formula

Phellodendrine chloride104112-82-5 Isocorydine hydrochloride13552-72-2 Corytuberine methochloride6681-18-1

Elsewhere

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