Cas no 138-12-5 (Atroscine)

Atroscine structure
Atroscine structure
Product Name:Atroscine
CAS No:138-12-5
MF:C17H21NO4
MW:303.35294508934
CID:230618
PubChem ID:6451257
Update Time:2025-04-19

Atroscine Chemical and Physical Properties

Names and Identifiers

    • (1R,2R,4S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
    • (-)-Scopolamine
    • HYOSCINE, EP STANDARD
    • HYOSCINE
    • Scopoderm TTS
    • scopolamine
    • (1alpha,2beta,4beta,5alpha,7beta)-alpha-(Hydroxymethyl)-benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester
    • Atroscine
    • Azatricyclo [3.3.1.02,4] non-7-yl ester
    • Benzeneaceticacid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-
    • STECJAGHUSJQJN-SDODBCEQSA-N
    • (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
    • FS-9601
    • 51-34-3
    • Scopolaminhydrobromid
    • W-105903
    • DTXSID8043812
    • SCHEMBL6840787
    • scopalamine
    • EN300-28336725
    • 138-12-5
    • [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
    • SCHEMBL24175406
    • STECJAGHUSJQJN-QBMZJCKTSA-N
    • (+/-)-Scopolamine
    • AKOS015955512
    • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2,4))non-7-yl ester, (1alpha,2beta,4beta,5alpha,7beta)-(+-)-
    • MDL： MFCD05662373
    • Inchi： 1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13-,14+,15-,16+
    • InChI Key： STECJAGHUSJQJN-QBMZJCKTSA-N
    • SMILES： O1[C@@H]2[C@H]3CC(C[C@@H]([C@H]12)N3C)OC(C(C1C=CC=CC=1)CO)=O

Computed Properties

  • Exact Mass: 303.14700
  • Monoisotopic Mass: 303.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 418
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 62.3?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.31±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.8 g/l) (25 o C),
  • PSA: 62.30000
  • LogP: 0.85600

Atroscine Security Information

  • Safety Instruction： S26; S36
  • Risk Phrases：R36/37/38

Atroscine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-28336725-1.0g
(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
 138-12-5
1g
 $0.0 2023-05-31

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