Cas no 63868-45-1 (Morphinan-6-ol,4,5-epoxy-3-(methoxymethoxy)-17-methyl-, (5a,6a)- (9CI))
63868-45-1 structure
Product Name:Morphinan-6-ol,4,5-epoxy-3-(methoxymethoxy)-17-methyl-, (5a,6a)- (9CI)
CAS No:63868-45-1
MF:C19H25NO4
MW:331.40610575676
CID:510386
PubChem ID:5745818
Update Time:2025-04-19
Morphinan-6-ol,4,5-epoxy-3-(methoxymethoxy)-17-methyl-, (5a,6a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Morphinan-6-ol,4,5-epoxy-3-(methoxymethoxy)-17-methyl-, (5a,6a)- (9CI)
- (4R,4aR,7S,7aR,12bS)-9-(methoxymethoxy)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
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- Inchi： 1S/C19H25NO4/c1-20-8-7-19-12-4-5-14(21)18(19)24-17-15(23-10-22-2)6-3-11(16(17)19)9-13(12)20/h3,6,12-14,18,21H,4-5,7-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
- InChI Key： FCYQIDFMSYIAEB-LEPYJNQMSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5CC[C@@H]([C@H]1[C@@]5(C=32)CCN4C)O)OCOC
Computed Properties
- Exact Mass: 331.17845
- Monoisotopic Mass: 331.178358
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 502
- 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: 51.2
- XLogP3: 2.1
Experimental Properties
- Density: 1.31
- Boiling Point: 493.1°Cat760mmHg
- Flash Point: 252°C
- Refractive Index: 1.628
- PSA: 51.16
Morphinan-6-ol,4,5-epoxy-3-(methoxymethoxy)-17-methyl-, (5a,6a)- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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