Cas no 143-70-4 (Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI))
143-70-4 structure
Product Name:Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI)
CAS No:143-70-4
MF:C17H19NO3
MW:285.337664842606
CID:151533
PubChem ID:5324287
Update Time:2025-04-19
Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI)
- (5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol
- (5alpha,6beta)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol
- alpha-Isomorphine
- Morphinan-3,6-beta-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-
- DTXSID801318165
- NS00079250
- EINECS 205-607-6
- Isomorphine
- 143-70-4
- SCHEMBL5674635
-
- Inchi： 1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13+,16-,17-/m0/s1
- InChI Key： BQJCRHHNABKAKU-NOSXKOESSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@H]([C@H]1[C@@]5(C=32)CCN4C)O)O
Computed Properties
- Exact Mass: 285.13657
- Monoisotopic Mass: 285.136493
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 494
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 52.9
Experimental Properties
- Density: 1.44
- Boiling Point: 476.2°Cat760mmHg
- Flash Point: 241.8°C
- Refractive Index: 1.719
- PSA: 52.93
Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI) Related Literature
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1. LXI.—Researches on morphine. Part IIS. B. Schryver,Frederic H. Lees J. Chem. Soc. Trans. 1901 79 563
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2. CXXXV.—Researches on morphine. Part IIIFrederic Herbert Lees J. Chem. Soc. Trans. 1907 91 1408
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3. XCI.—Researches on morphine. Part IS. B. Schryver,Frederic H. Lees J. Chem. Soc. Trans. 1900 77 1024
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4. Proceedings of the Chemical Society, Vol. 17, No. 235
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5. Proceedings of the Chemical Society, Vol. 16, No. 226
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