Cas no 52617-25-1 (psychotridine)

psychotridine structure
psychotridine structure
Product Name:psychotridine
CAS No:52617-25-1
MF:C55H62N10
MW:863.147791385651
CID:937192
PubChem ID:171175
Update Time:2025-04-19

psychotridine Chemical and Physical Properties

Names and Identifiers

    • psychotridine
    • 3-methyl-5,8b-bis[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
    • SCHEMBL20508875
    • 52617-25-1
    • Pyrrolo[2,3-b]indole, psychotridine deriv.
    • C09233
    • CHEBI:8621
    • DVJSMVZSIBHXAO-UHFFFAOYSA-N
    • Q7256532
    • Stereoisomer of 2,2',2'',2''',2'''',3,3',3'',3''',3'''',8,8',8'',8''',8'''',8a,8'a,8' 'a,8'''a,8''''a-eicosahydro-1,1',1'',1''',1''''-pentamethyl-3a(1H),7' :3'a,3''a(1'H,1''H):7'',3'''a(1'''H):7''',3''''a(1''''H)-quinquepyrrolo[2,3-b]indole
    • DTXSID501046292
    • Isopsychotridine
    • Inchi: 1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-48-53(36,25-30-63(48)3)38-18-12-20-40-45(38)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)59-44-37(17-11-19-39(44)54)52-24-29-62(2)47(52)57-42-22-9-7-14-34(42)52/h6-22,46-50,56-60H,23-32H2,1-5H3
    • InChI Key: DVJSMVZSIBHXAO-UHFFFAOYSA-N
    • SMILES: N1(C)CCC2(C3C=CC=C(C45C6C=CC=C(C78C9C=CC=CC=9NC7N(C)CC8)C=6NC4N(C)CC5)C=3NC12)C12C3C=CC=C(C45C6C=CC=CC=6NC4N(C)CC5)C=3NC1N(C)CC2

Computed Properties

  • Exact Mass: 862.51646
  • Monoisotopic Mass: 862.51589202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 4
  • Complexity: 1880
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 9.4
  • Topological Polar Surface Area: 76.4?2

Experimental Properties

  • PSA: 76.35

psychotridine Pricemore >>

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