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152-02-3

Basic Information
CAS No.: 152-02-3
Name: levallorphan
Article Data: 8
Molecular Structure:
Molecular Structure of 152-02-3 (levallorphan)
Formula: C19H25 N O
Molecular Weight: 283.414
Synonyms: 2H-10,4a-Iminoethanophenanthren-6-ol,11-allyl-1,3,4,9,10,10a-hexahydro- (6CI); Morphinan-3-ol, 17-(2-propenyl)-(9CI); Morphinan-3-ol, 17-allyl- (8CI); (-)-3-Hydroxy-N-allylmorphinan;17-Allylmorphinan-3-ol; Levallorphan; MCL 113; N-Allyl-3-hydroxymorphinan;l-N-Allyl-3-hydroxymorphinan
Density: 1.14g/cm3
Melting Point: 180-182°
Boiling Point: 433.5°Cat760mmHg
Flash Point: 214.2°C
Safety: Poison experimentally by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.
PSA: 23.47000
LogP: 3.57450
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Chemistry

Product Name: N-Allyl-3-hydroxymorphinan (CAS NO.152-02-3)


Molecular Formula: C19H25NO
Molecular Weight: 283.45g/mol
Mol File: 152-02-3.mol
Einecs: 205-799-1
Boiling point: 433.5 °C at 760 mmHg
Flash Point: 214.2 °C
Density: 1.14 g/cm3
Surface Tension: 50.4 dyne/cm
Enthalpy of Vaporization: 71.61 kJ/mol
Vapour Pressure: 71.61 kJ/mol
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of N-Allyl-3-hydroxymorphinan (CAS NO.152-02-3):
  Canonical SMILES: C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O
  Isomeric SMILES: C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
  InChI: InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1 
  InChIKey: OZYUPQUCAUTOBP-QXAKKESOSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 184mg/kg (184mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. -, 1965.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Annals of the New York Academy of Sciences. Vol. 281, Pg. 321, 1976.
rat LD50 intraperitoneal 185mg/kg (185mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 140, 1973.
rat LD50 oral 949mg/kg (949mg/kg)   "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. -, 1965.

Safety Profile

Poison experimentally by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.

Specification

 N-Allyl-3-hydroxymorphinan ,its CAS NO. is 152-02-3,the synonyms is (-)-3-Hydroxy-N-allylmorphinan ; 17-Allylmorphinan-3-ol ; EINECS 205-799-1 ; HSDB 2148 ; L-N-Allyl-3-hydroxymorphinan ; Levallofano  ; Levallorphanum ; Levalorfano ; Levo-3-hydroxy-N-allyl morphinan ; Morphinan, 17-allyl-3-hydroxy- ; Morphinan-3-ol, 17-(2-propenyl)- ; Morphinan-3-ol, 17-allyl-  ; Naloxiphan ; Ro-1-7700 ; UNII-353613BU4U ; levo-3-Hydroxy-N-allyl morphinan .