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Molecule record

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

C20H23NO4

341.41 g/mol

Loading structure

Molecular properties

Formula
C20H23NO4
Molar mass
341.41 g·mol−1
Exact mass
341.1627 Da
10
PubChem CID
5360515

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Ether
Ketone
Phenol
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 16590-41-3
  • 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
  • 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one
  • 5S6W795CQM
  • Adepend
  • CHEBI:7465
  • Celupan
  • DTXCID2026313
Show all 24 synonyms
  • DTXSID4046313
  • EN-1639A FREE BASE
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, (5alpha)-
  • N-Cyclopropylmethyl-14-hydroxydihydromorphinone
  • N-Cyclopropylmethylnoroxymorphone
  • NSC-758439
  • Nalorex
  • Naltrexona
  • Naltrexonum
  • Nemexin
  • Opizone
  • Trexal
  • UM-792
  • Vivitrex
  • Vivitrol
  • naltrexone

Structure identifiers

Canonical SMILES
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
Isomeric SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI
InChI=1S/C20H23NO4/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/t15-,18+,19+,20-/m1/s1
InChIKey
DQCKKXVULJGBQN-XFWGSAIBSA-N
PubChem CID
5360515

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record