Cas no 5027-68-9 (O-Acetyl-(-)-norscopolamine)

O-Acetyl-(-)-norscopolamine structure
O-Acetyl-(-)-norscopolamine structure
Product Name:O-Acetyl-(-)-norscopolamine
CAS No:5027-68-9
MF:C18H21NO5
MW:331.363045454025
CID:1065492
PubChem ID:131698560
Update Time:2025-04-20

O-Acetyl-(-)-norscopolamine Chemical and Physical Properties

Names and Identifiers

    • O-Acetyl-(-)-norscopolamine
    • [7(S)-(1α,2β,4β,5α,7β)]- α-[(Acetyloxy)Methyl]-benzeneacetic Acid 3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester
    • A,2
    • A,4
    • A,5
    • A,7
    • A-[(Acetyloxy)methyl]-benzeneacetic Acid 3-Oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester
    • 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (2S)-3-acetyloxy-2-phenylpropanoate
    • 5027-68-9
    • Inchi: 1S/C18H21NO5/c1-10(20)22-9-13(11-5-3-2-4-6-11)18(21)23-12-7-14-16-17(24-16)15(8-12)19-14/h2-6,12-17,19H,7-9H2,1H3/t12?,13-,14?,15?,16?,17?/m1/s1
    • InChI Key: DJAUMZBNIYQAMW-ARRBXOIYSA-N
    • SMILES: O1C2C3CC(CC(C12)N3)OC([C@@H](C1C=CC=CC=1)COC(C)=O)=O

Computed Properties

  • Exact Mass: 331.14200
  • Monoisotopic Mass: 331.14197277g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 488
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 77.2?2

Experimental Properties

  • PSA: 77.16000
  • LogP: 1.47550

O-Acetyl-(-)-norscopolamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A187285-10mg
O-Acetyl-(-)-norscopolamine
5027-68-9
10mg
$ 201.00 2023-04-19
TRC
A187285-100mg
O-Acetyl-(-)-norscopolamine
5027-68-9
100mg
$ 1596.00 2023-04-19
SHENG KE LU SI SHENG WU JI SHU
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O-Acetyl-(-)-norscopolamine,
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¥2,858.00 2023-07-11
SHENG KE LU SI SHENG WU JI SHU
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O-Acetyl-(-)-norscopolamine,
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¥2858.00 2023-09-05
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