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Substance Name: (+)-Thalmelatine
RN: 5308-77-0
InChIKey: XNEFHBQMDWILRU-UHFFFAOYSA-N

Molecular Formula

  • C40-H46-N2-O8

Molecular Weight

  • 682.809
 
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Names and Synonyms

Results Name

  • (+)-Thalmelatine

Synonyms

  • (+)-Thalmelatine
  • NSC 209758

Systematic Name

  • 7-Isoquinolinol, 1-((4,5-dimethyoxy-2-((5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 5308-77-0

System Generated Number

  • 0005308770

Structure Descriptors

InChI

1S/C40H46N2O8/c1-41-11-9-22-15-32(44-3)30(43)19-26(22)28(41)14-25-18-33(45-4)35(47-6)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-34(36)46-5/h15-21,28-29,43H,9-14H2,1-8H3

InChIKey

XNEFHBQMDWILRU-UHFFFAOYSA-N

Smiles

c12c3c4cc(OC)c(cc4C[C@@H]1[N@@](C)CCc2cc(OC)c3OC)Oc1c(C[C@@H]2c3c(cc(c(c3)O)OC)CC[N@@]2C)cc(c(c1)OC)OC