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Substance Name: Catharinine
RN: 58511-83-4
InChIKey: AQXVANXWKSPKMX-RSAMFGMZSA-N

Molecular Formula

  • C46-H56-N4-O10

Molecular Weight

  • 824.9664
 
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Names and Synonyms

Name of Substance

  • Catharinine

Synonym

  • Vinamidine

Systematic Name

  • 2',19'-Secovincaleukoblastine, 4'-deoxy-3',19'-dioxo-, (4'sigma,18'sigma)-

Registry Numbers

CAS Registry Number

  • 58511-83-4

Other Registry Number

  • 67497-72-7

System Generated Number

  • 0058511834

Structure Descriptors

InChI

1S/C46H56N4O10/c1-8-29(53)21-28-24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,26,28,38-40,47,56H,8-9,15,17-21,24-25H2,1-7H3/t28-,38-,39+,40+,43+,44+,45-,46+/m0/s1

InChIKey

AQXVANXWKSPKMX-RSAMFGMZSA-N

Smiles

CCC(=O)C[C@@H]1CN(CCc2c([nH]c3ccccc23)[C@@](C1)(C(=O)OC)c4cc5c(cc4OC)N(C)[C@H]6[C@@](O)([C@H](OC(=O)C)[C@]7(CC)C=CCN8CC[C@]56[C@H]78)C(=O)OC)C=O