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| CAS No.: | 155536-45-1 |
|---|---|
| Name: | Dihydroetorphine hydrochloride |
| Molecular Structure: | |
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| Formula: | C25H35 N O4 . Cl H |
| Molecular Weight: | 450.07 |
| Synonyms: | 6,14-Ethenomorphinan-7-methanol,4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a,17-dimethyl-a-propyl-, hydrochloride, (aR,5a,7a)- (9CI);6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a,17-dimethyl-a-propyl-, hydrochloride, [5a,7a(R)]-; Dihydroetorphine hydrochloride |
| Density: | g/cm3 |
| Boiling Point: | 554.2°Cat760mmHg |
| Flash Point: | 289°C |
| Hazard Symbols: | A reproductive hazard. |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−. |
| PSA: | 62.16000 |
| LogP: | 4.12750 |
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Chemistry
Molecule structure of Dihydroetorphine hydrochloride (CAS NO.155536-45-1) :
Molecular Weight: 450.01064 g/mol
Molecular Formula: C25H36ClNO4
Boiling Point: 554.2 °C at 760 mmHg
Flash Point: 289 °C
Enthalpy of Vaporization: 87.89 kJ/mol
Vapour Pressure: 4.06E-13 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 449.233286
MonoIsotopic Mass: 449.233286
Topological Polar Surface Area: 62.2
Heavy Atom Count: 31
Complexity: 732
Defined Atom StereoCenter Count: 5
Undefined Atom StereoCenter Count :2
Canonical SMILES: CCCC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O.Cl
Isomeric SMILES: CCC[C@](C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O.Cl
InChIKey of Dihydroetorphine hydrochloride (CAS NO.155536-45-1) : XRHDQSKAXOSHGA-YJDLVULCSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Specification
Dihydroetorphine hydrochloride (CAS NO.155536-45-1) is also called 6,14-Ethenomorphinan-7-methanol, 18,19-dihydro, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, hydrochloride, (5alpha,7alpha(R))- ; 6,14-Ethenomorphinan-7-methanol, 18,19-dihydro, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, hydrochloride, (alphaR,5alpha,7alpha)- .