Cas no 31610-87-4 (8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-)

8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)- structure
31610-87-4 structure
Product Name:8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-
CAS No:31610-87-4
MF:C18H26NO3
MW:304.403945446014
CID:306181
PubChem ID:656598
Update Time:2025-04-19

8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)- Chemical and Physical Properties

Names and Identifiers

    • 8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-
    • methylatropine
    • 8-Methylatropinium
    • Atropine methyl
    • Methylatropinium
    • N-Methylatropine
    • N-Methylatropinium
    • Methylatropinium cation
    • (+/-)-N-METHYLATROPINE
    • DTXSID5046932
    • 80719I460H
    • HOMATROPINE METHYLBROMIDE IMPURITY E [EP IMPURITY]
    • .Eumydrin
    • Q27269116
    • [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
    • 8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-
    • 8-Azoniabicyclo(3.2.1)octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, endo-(+-)-
    • METHYLATROPINE [WHO-DD]
    • CHEMBL1187724
    • 31610-87-4
    • 8-AZONIABICYCLO(3.2.1)OCTANE, 3-(3-HYDROXY-1-OXO-2- PHENYLPROPOXY)-8,8-DIMETHYL-, (3-ENDO)-
    • UNII-80719I460H
    • (+-)-N-Methylatropine
    • Oprea1_273790
    • Methyl atropine
    • Methylatropinium ion
    • DB13833
    • NS00117932
    • Inchi： 1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16?,17?
    • InChI Key： PIPAJLPNWZMYQA-RYTJFDOTSA-N
    • SMILES： O(C(C(C1C=CC=CC=1)CO)=O)C1C[C@@H]2CC[C@H](C1)[N+]2(C)C

Computed Properties

  • Exact Mass: 303.18300
  • Monoisotopic Mass: 304.19126869g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 387
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 38.77000
  • LogP: 2.52290

8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)- Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)- Related Literature

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