(5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (1:1) | CAS No. 23277-43-2

(5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (1:1)

Basic Information

CAS Number

23277-43-2

Molecular Formula

C21H28ClNO4

Molecular Weight

393.91 g/mol

AD

Basic Physical Properties

Solubility

H2O: soluble

C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl

InChI

InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1

InChIKey

YZLZPSJXMWGIFH-BCXQGASESA-N

LogP

2.129100000000002

Topological Polar Surface Area

73.16000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

597

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H330 Fatal if inhaled
Acute toxicity, inhalation
H370 Causes damage to organs
Specific target organ toxicity, single exposure

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

  • DTXSID20177844
  • Nubain (TN)
  • NALBUPHINE HYDROCHLORIDE [WHO-DD]
  • NALBUPHINE HYDROCHLORIDE [VANDF]
  • N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochloride
  • Q27107499
  • E98629
  • PW-4142
  • (5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride
  • CHEMBL1201132
  • EN-2234A
  • CHEBI:7455
  • BN161328
  • UNII-ZU4275277R
  • Prestwick_344
  • MLS002154202
  • 17-(Cyclobutylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol hydrochloride
  • EINECS 245-549-9
  • CCG-220118
  • Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, hydrochloride, (5-alpha,6-alpha)-
  • HMS1568G18
  • NALBUPHINE HYDROCHLORIDE (MART.)
  • DTXCID80100335
  • Nalbufine hydrochloride
  • Nalbuphine hydrochloride (USAN)
  • NALBUPHINE HCI
  • Morphinan-3,6-alpha,14-triol, 17-(cyclobutylmethyl)-4,5-alpha-epoxy-, hydrochloride
  • NS00084764
  • SCHEMBL41123
  • 17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride hydrate
  • NSC 757829

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