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Substance Name: Cyclorphan
RN: 4163-15-9
UNII: U6Z73N36V0
InChIKey: NLBUEDSBXVNAPB-DFQSSKMNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O

Molecular Weight

  • 297.439
 
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Names and Synonyms

Name of Substance

  • Cyclorphan

Synonyms

  • (-)-3-Hydroxy-N-cyclopropylmethylmorphinan
  • 17-(Cyclopropylmethyl)morphinan-3-ol
  • Cyclorphan
  • EINECS 224-007-5
  • UNII-U6Z73N36V0

Systematic Names

  • 17-(Cyclopropylmethyl)morphinan-3-ol
  • Morphinan, (-)-3-hydroxy-N-cyclopropylmethyl-
  • Morphinan-3-ol, 17-(cyclopropylmethyl)- (8CI,9CI)

Registry Numbers

CAS Registry Number

  • 4163-15-9

FDA UNII

  • U6Z73N36V0

System Generated Number

  • 0004163159

Structure Descriptors

InChI

1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1

InChIKey

NLBUEDSBXVNAPB-DFQSSKMNSA-N

Smiles

c12[C@@]34[C@H]([C@H]([N@@](CC5CC5)CC3)Cc1ccc(c2)O)CCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 165, Pg. 112, 1967.
mouse LD50 subcutaneous 215mg/kg (215mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 165, Pg. 112, 1967.
rat LD50 intravenous 23mg/kg (23mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 165, Pg. 112, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 188 deg C   EXP
log P (octanol-water) 4.690 (none)   EST
Atmospheric OH Rate Constant 2.16E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.