Cas no 22324-83-0 (1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline)

1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline structure
22324-83-0 structure
Product Name:1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline
CAS No:22324-83-0
MF:C21H27NO5
MW:373.442786455154
CID:52036
PubChem ID:2835004
Update Time:2025-04-18

1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline
    • 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)isoquinoline
    • Intermediate of Gantacurium Chloride
    • 6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline
    • (+/-) cryptostyline III
    • (+/-)-cryptostyline III
    • (1R)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
    • (1S)-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
    • 6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxy-phenyl)-1,2,3,4-tetrahydro-isoquinoline
    • A816105
    • AC1MDDGA
    • Ambcb5224665
    • SureCN7911741
    • DTXSID40385429
    • SR-01000199402-1
    • 22324-83-0
    • SCHEMBL7911741
    • SR-01000199402
    • 6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
    • Cambridge id 5224665
    • (+-)-Cryptostyline III
    • (+/-)-Cryptostyline
    • Inchi: 1S/C21H27NO5/c1-22-8-7-13-9-16(23-2)17(24-3)12-15(13)20(22)14-10-18(25-4)21(27-6)19(11-14)26-5/h9-12,20H,7-8H2,1-6H3
    • InChI Key: WAXADPYOTKIQBY-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC2CCN(C)C(C3C=C(C(=C(C=3)OC)OC)OC)C=2C=1)OC

Computed Properties

  • Exact Mass: 373.18892296g/mol
  • Monoisotopic Mass: 373.18892296g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 450
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • Density: 1.126
  • Melting Point: 140-141 oC
  • Flash Point: 128 oC

1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-Isoquinoline Related Literature

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