Cas no 71461-13-7 (4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-)

4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)- structure
71461-13-7 structure
Product Name:4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-
CAS No:71461-13-7
MF:C28H36N4O4
MW:492.609847068787
CID:572405
PubChem ID:126326
Update Time:2025-04-19

4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-
    • 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dod
    • orantine
    • J1E0LYG58A
    • Ephedradine A
    • DTXSID501031984
    • A9529
    • UNII-J1E0LYG58A
    • 71461-13-7
    • CCRIS 3986
    • 4H-1,16-Etheno-5,15-(propaniminoethano)furo(3,4-l)(1,5,10)triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-
    • (-)-Ephedradine A
    • Q27281023
    • (-)-ORANTINE
    • orantin
    • Inchi： 1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)
    • InChI Key： ASCIWXOCZAWSON-UHFFFAOYSA-N
    • SMILES： OC1C=CC(C2C3C(N4CCCNC(=O)CC(C5C=C3C(=CC=5)O2)NCCCNCCCC4)=O)=CC=1

Computed Properties

  • Exact Mass: 492.274
  • Monoisotopic Mass: 492.274
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 1
  • Complexity: 743
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 746.1°C at 760 mmHg
  • Flash Point: 405°C
  • Refractive Index: 1.643

4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)- Related Literature

Related Categories

71461-13-7 (4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione,3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3R,3aR,15S)-) Related Products

Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd