Cas no 28379-51-3 (14a-Morphinan-3,6b-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI))
28379-51-3 structure
Product Name:14a-Morphinan-3,6b-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI)
CAS No:28379-51-3
MF:C17H20ClNO3
MW:321.798604011536
CID:277140
PubChem ID:5493068
Update Time:2025-04-19
14a-Morphinan-3,6b-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI) Chemical and Physical Properties
Names and Identifiers
-
- 14a-Morphinan-3,6b-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI)
- trans-Morphine hydrochloride
- (4R,4aS,7R,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol,hydrochloride
- DTXSID20182610
- 14-alpha-Morphinan-3,6-beta-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, hydrochloride
- 28379-51-3
- trans-Isomorphine 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-SHFALZIZSA-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: 321.1131712g/mol
- 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?2
Experimental Properties
- Boiling Point: 476.2°Cat760mmHg
- Flash Point: 241.8°C
- PSA: 52.93
14a-Morphinan-3,6b-diol, 7,8-didehydro-4,5a-epoxy-17-methyl-, hydrochloride(8CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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