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| CAS No.: | 152-02-3 |
|---|---|
| Name: | levallorphan |
| Molecular Structure: | |
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| 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 .