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Substance Name: Afeletecan [INN]
RN: 215604-75-4
UNII: IX0QAD6RD2
InChIKey: SLOJCSGNHWIKIG-JNYZSSQASA-N

Molecular Formula

  • C45-H49-N7-O11-S

Molecular Weight

  • 895.9861
 
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Names and Synonyms

Name of Substance

  • Afeletecan [INN]

Synonyms

  • Afeletecan
  • UNII-IX0QAD6RD2

Systematic Name

  • Camptothecin, ester with N-((p-((3-O-methyl-beta-L-fucopyranosyl)oxy)phenyl)thiocarbamoyl)-L-histidyl-L-valine

Registry Numbers

CAS Registry Number

  • 215604-75-4

FDA UNII

  • IX0QAD6RD2

System Generated Number

  • 0215604754

Structure Descriptors

InChI

1S/C45H49N7O11S/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64)/t23-,32-,34-,36+,37-,38+,42+,45-/m0/s1

InChIKey

SLOJCSGNHWIKIG-JNYZSSQASA-N

Smiles

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc6c[nH]cn6)NC(=S)Nc7ccc(cc7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)OC)O