Cas no 34736-05-5 ((+-)-N-Methylhyoscine methylsulfate)
34736-05-5 structure
Product Name:(+-)-N-Methylhyoscine methylsulfate
CAS No:34736-05-5
MF:C14H22N2O2
MW:250.336683750153
CID:295062
PubChem ID:90471680
Update Time:2025-04-19
(+-)-N-Methylhyoscine methylsulfate Chemical and Physical Properties
Names and Identifiers
-
- (+-)-N-Methylhyoscine methylsulfate
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, 3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane deriv.
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (1a,2b,4b,5a,7b)-(+-)-, methyl sulfate (salt)
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (1a,2b,4b,5a,7b)-, methyl sulfate (salt) (9CI)
- n-methylscopolamine methylsulfate
- 34736-05-5
-
- Inchi： 1S/C7H11NO.C7H10NO/c2*1-2-4-6-7(9-6)5(3-1)8-4/h4-8H,1-3H2;4-7H,1-3H2/q;-1/p+1
- InChI Key： ONTZEGQHTQKMLJ-UHFFFAOYSA-O
- SMILES： O1C2C3CCCC(C12)[NH2+]3.O1C2C3CCCC(C12)[N-]3
Computed Properties
- Exact Mass: 250.168127949g/mol
- Monoisotopic Mass: 250.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 268
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.7?2
(+-)-N-Methylhyoscine methylsulfate Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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