Cas no 22324-16-9 (Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI))

Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI) structure
22324-16-9 structure
Product Name:Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI)
CAS No:22324-16-9
MF:C21H25NO5
MW:371.426906347275
CID:273539
PubChem ID:211119
Update Time:2025-04-19

Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI)
    • 2,10,12-Trimethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline-1,11-diol
    • BRN 1555600
    • 22324-16-9
    • DTXSID60944971
    • C-Homo-6a-alpha-aporphine-1,10-diol, 2,9,11-trimethoxy-
    • Merobustinine
    • 2,9,11-Trimethoxy-C-homo-6a-alpha-aporphine-1,10-diol
    • (+)-Multifloramine
    • Benzo(6,7)cyclohept(1,2,3-ij)isoquinoline-1,11-diol, 4,5,6,6a,7,8-hexahydro-6-methyl-2,10,12-trimethoxy-, (S)-
    • Inchi： 1S/C21H25NO5/c1-22-8-7-12-10-14(25-2)19(23)18-16(12)13(22)6-5-11-9-15(26-3)20(24)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1
    • InChI Key： JCWDQBQBVNMMNK-ZDUSSCGKSA-N
    • SMILES： OC1C(=CC2CCN(C)[C@H]3CCC4C=C(C(=C(C=4C=1C3=2)OC)O)OC)OC

Computed Properties

  • Exact Mass: 371.17335
  • Monoisotopic Mass: 371.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 519
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • Density: 1.257
  • Boiling Point: 581.1°C at 760 mmHg
  • Flash Point: 305.3°C
  • Refractive Index: 1.61
  • PSA: 71.39

Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI) Related Literature

Related Categories

22324-16-9 (Benzo[6,7]cyclohept[1,2,3-ij]isoquinoline-1,11-diol,4,5,6,6a,7,8-hexahydro-2,10,12-trimethoxy-6-methyl-, (S)- (9CI)) Related Products

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