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Substance Name: Vinblastine-N-methyl amide sulfate
RN: 64448-88-0
InChIKey: STFWUDXVGHAJQW-UHFFFAOYSA-N

Molecular Formula

  • C46-H59-N5-O8.H2-O4-S

Molecular Weight

  • 908.0769
 
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Names and Synonyms

Name of Substance

  • Vinblastine-N-methyl amide sulfate

Synonym

  • Vincaleukoblastine N-methylamide sulfate (salt)

Systematic Name

  • Vincaleukoblastine, 3-de(methoxycarbonyl)-3-((methylamino)carbonyl)-, sulfate (1:1) salt

Registry Numbers

CAS Registry Number

  • 64448-88-0

System Generated Number

  • 0064448880

Molecular Formulas

Molecular Formula

  • C46-H59-N5-O8.H2-O4-S

Molecular Formula Fragments

  • C46-H59-N5-O8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C46H59N5O8.H2O4S/c1-8-42(55)23-28-24-45(41(54)58-7,36-30(15-19-50(25-28)26-42)29-13-10-11-14-33(29)48-36)32-21-31-34(22-35(32)57-6)49(5)38-44(31)17-20-51-18-12-16-43(9-2,37(44)51)39(59-27(3)52)46(38,56)40(53)47-4;1-5(2,3)4/h10-14,16,21-22,28,37-39,48,55-56H,8-9,15,17-20,23-26H2,1-7H3,(H,47,53);(H2,1,2,3,4)

InChIKey

STFWUDXVGHAJQW-UHFFFAOYSA-N

Smiles

CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)NC)O)OC(=O)C)CC)C)C(=O)OC)O.OS(=O)(=O)O