Cas no 72029-36-8 ((1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine)

(1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine structure
72029-36-8 structure
Product Name:(1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine
CAS No:72029-36-8
MF:C28H46N2S
MW:442.743246555328
CID:1755912
PubChem ID:240341
Update Time:2025-04-21

(1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine Chemical and Physical Properties

Names and Identifiers

    • (1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine
    • NSC46481
    • AR-1A1231
    • KST-1A8969
    • AC1L64ZK
    • 2'-Aminothiazol&lt
    • 5',4':2,3&gt
    • -2-cholesten
    • AG-K-47070
    • CTK5D5394
    • NSC46481; AR-1A1231; KST-1A8969; AC1L64ZK; 2'-Aminothiazol< 5',4':2,3> -2-cholesten; AG-K-47070; CTK5D5394;
    • DTXSID90286553
    • 72029-36-8
    • NSC-46481
    • Inchi： 1S/C28H46N2S/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24-25(31-26(29)30-24)16-28(19,5)23(20)13-14-27(21,22)4/h17-23H,6-16H2,1-5H3,(H2,29,30)/t18-,19+,20+,21-,22+,23+,27-,28+/m1/s1
    • InChI Key： LTSUMDUBQDQHJC-JEFOESKRSA-N
    • SMILES： S1C(N)=NC2=C1C[C@@]1(C)[C@H](C2)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]12

Computed Properties

  • Exact Mass: 442.33848
  • Monoisotopic Mass: 442.33817065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 651
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.9
  • Topological Polar Surface Area: 67.2?2

Experimental Properties

  • PSA: 38.91

(1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine Related Literature

72029-36-8 ((1r,3as,3br,5as,10as,10bs,12ar)-10a,12a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1h-cyclopenta[7,8]phenanthro[2,3-d][1,3]thiazol-8-amine) Related Products

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