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6414-38-6

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Basic Information
CAS No.: 6414-38-6
Name: (5alpha,6beta)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt)
Molecular Structure:
Molecular Structure of 6414-38-6 ((5alpha,6beta)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt))
Formula: C18H23NO3•C4H6O6
Molecular Weight: 451.474
Density: g/cm3
Boiling Point: 462°Cat760mmHg
Flash Point: 233.2°C
Safety: Poison by subcutaneous route. See also CODEINE. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Empirical Formula of Dihydroisocodeine acid tartrate (CAS NO.6414-38-6): C22H29NO9
Molecular Weight: 451.467 
Flash Point: 233.2 °C
Enthalpy of Vaporization: 76.17 kJ/mol
Boiling Point: 462 °C at 760 mmHg
Vapour Pressure: 2.48E-09 mmHg at 25 °C
Structure of Dihydroisocodeine acid tartrate (CAS NO.6414-38-6):
                          
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](CC4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C18H23NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,13+,17-,18-;1-,2-/m01/s1
InChIKey: ZGSZBVAEVPSPFM-KDESYCFDSA-N

Toxicity Data With Reference

1.    

scu-mus LDLo:1500 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 51 (1934),35.
2.    

scu-rbt LDLo:196 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 66 (1939),182.

Safety Profile

Poison by subcutaneous route. See also CODEINE. When heated to decomposition Dihydroisocodeine acid tartrate (CAS NO.6414-38-6) emits toxic fumes of NOx.

Specification

 Dihydroisocodeine acid tartrate , its cas register number is 6414-38-6. It also can be called Dihydroisocodeine tartrate ; Morphinan-6-beta-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate ; and Isocodeine, dihydro-, tartrate (1:1) .