(9alpha,13alpha,14alpha)-4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one | CAS No. 115-53-7

(9alpha,13alpha,14alpha)-4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one

Basic Information

CAS Number

115-53-7

Molecular Formula

C19H23NO4

Molecular Weight

329.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

180 °C (dec.)

Boiling Point

466.98°C (rough estimate)

Solubility

Methanol,DMSO,Chloroform,Acetontrile

Refractive Index

1.5000 (estimate)

Specific Rotation

D26 -71° (c = 2.1 in alc)

CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC

InChI

InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1

InChIKey

INYYVPJSBIVGPH-QHRIQVFBSA-N

LogP

2.0181

Topological Polar Surface Area

59.0 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

562

Safety Information

View Safety Information

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Toxicity

LD50 orally in mice: 580 mg/kg (Fu)

Synonyms & References

English

  • BDBM224031
  • Cucoline
  • (9alpha,13alpha,14alpha)-7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one
  • BRN 0095280
  • 4-Hydroxy-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
  • 5-21-13-00516 (Beilstein Handbook Reference)
  • BSPBio_002627
  • AKOS015960539
  • SINOMENINE [MI]
  • 115-53-7
  • BCP20032
  • UNII-63LT81K70N
  • AC-8025
  • 9-alpha,13-alpha,14-alpha-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-
  • EINECS 204-094-6
  • NCGC00161641-04
  • 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one
  • INYYVPJSBIVGPH-QHRIQVFBSA-N
  • SW219295-1
  • NCGC00161641-05
  • NCGC00161641-01
  • CS-0003778
  • C09643
  • CHEMBL248095
  • SR-05000002170-2
  • 63LT81K70N
  • 7,8-Didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-9-alpha,13-alpha,14-alpha-morphinan-6-one
  • CCG-39100
  • s2359
  • Sabianine A
  • Spectrum4_001981

MDL Number

MFCD00134303

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