Cas no 4892-48-2 ( )
structure
Product Name:
CAS No:4892-48-2
MF:C15H22O9
MW:346.329785823822
CID:932156
PubChem ID:372840
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- β-Codeine Hydrobromide
- 2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- NSC-34905
- 4892-48-2
- beta-Codeine Hydrobromide; Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrobromide, (5?,6?)- (9CI)Morphinan-6?-ol, 8,14-didehydro-4,5?-epoxy-3-methoxy-17-methyl-, hydrobromide (8CI); Neopine, hydrobromide (6CI,7CI); NSC 34905; ?-Codeine hydrobromide
- Neopine hydrobromide [MI]
- Q27286474
- Neopine hydrobromide
- Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrobromide, (5alpha,6alpha)-
- UNII-PC9YS1PAII
- beta-Codeine hydrobromide
- PC9YS1PAII
- .beta.-Codeine hydrobromide
- Morphinan-6-ol, 8,14-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrobromide, (5.alpha.,6.alpha.)-
-
-
- Inchi： 1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9?,10+,11?,12?,13?,14-,15?/m0/s1
- InChI Key： RJWJHRPNHPHBRN-MBUGLWNOSA-N
- SMILES： O(C1C(C(C(C(CO)O1)O)O)O)[C@H]1[C@@H]2C(CO)=C[C@H]([C@@H]2C=CO1)O
Computed Properties
- Exact Mass: 346.12638228g/mol
- Monoisotopic Mass: 346.12638228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 507
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3
- Topological Polar Surface Area: 149?2
Related Literature
-
2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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