Cas no 23092-70-8 (14a-Morphinan-3,6a-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI))
23092-70-8 structure
Product Name:14a-Morphinan-3,6a-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI)
CAS No:23092-70-8
MF:C17H20ClNO3
MW:321.798604011536
CID:255014
PubChem ID:5493275
Update Time:2025-04-19
14a-Morphinan-3,6a-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI) Chemical and Physical Properties
Names and Identifiers
-
- 14a-Morphinan-3,6a-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI)
- (4R,4aS,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol,hydrochloride
- trans-Morphine hydrochloride
- 23092-70-8
- DTXSID00177660
- 14-alpha-Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, hydrochloride
-
- Inchi： 1S/C17H19NO3.ClH/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;1H/t10-,11-,13+,16+,17+;/m1./s1
- InChI Key： XCKKIKBIPZJUET-MRCBPORXSA-N
- SMILES： Cl.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: 321.1133
- Monoisotopic Mass: 321.113171
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 494
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.9
Experimental Properties
- Boiling Point: 476.2°C at 760 mmHg
- Flash Point: 241.8°C
- PSA: 52.93
14a-Morphinan-3,6a-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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