Cas no 74367-14-9 (Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI))
74367-14-9 structure
Product Name:Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI)
CAS No:74367-14-9
MF:C21H29NO3Si
MW:371.545367002487
CID:5534469
PubChem ID:10474390
Update Time:2023-08-27
Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- DTXSID401345417
- 74367-14-9
- O-(Trimethylsilyl)codeine
- Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI)
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- Inchi: 1S/C21H29NO3Si/c1-22-11-10-21-14-7-9-17(25-26(3,4)5)20(21)24-19-16(23-2)8-6-13(18(19)21)12-15(14)22/h6-9,14-15,17,20H,10-12H2,1-5H3/t14-,15+,17+,20-,21-/m0/s1
- InChI Key: RXSDDUCBUIPWHI-SCMUXVNPSA-N
- SMILES: C1=C2C3[C@]45CCN(C)[C@H](C2)[C@]4([H])C=C[C@@H](O[Si](C)(C)C)[C@]5([H])OC=3C(OC)=C1
Computed Properties
- Exact Mass: 371.19167032g/mol
- Monoisotopic Mass: 371.19167032g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.9?2
Experimental Properties
- Density: 1.17±0.1 g/cm3(Predicted)
- Boiling Point: 440.1±45.0 °C(Predicted)
- pka: 8.03±0.40(Predicted)
Morphinan, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-[(trimethylsilyl)oxy]-, (5α,6α)- (9CI) Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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