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Substance Name: Exatecan mesylate [USAN]
RN: 197720-53-9
UNII: D2VJ1CC26Q
InChIKey: FXQZOHBMBQTBMJ-MWPGLPCQSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C24-H22-F-N3-O4.C-H4-O3-S.2H2-O

Molecular Weight

  • 567.588
 
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Names and Synonyms

Name of Substance

  • Exatecan mesylate [USAN]

Synonyms

  • (1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H, 13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione monomethanesulfonate (salt), dihydrate
  • (1S-trans)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H, 13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione monomethanesulfonate (salt), dihydrate
  • DX-8951f
  • Exatecan mesylate
  • Exatecan mesylate hydrate
  • UNII-D2VJ1CC26Q

Systematic Name

  • 10H,13H-Benzo(de)pyrano(3'm4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-, methanesulfonate (1:1) (salt), dihydrate

Registry Numbers

CAS Registry Number

  • 197720-53-9

FDA UNII

  • D2VJ1CC26Q

System Generated Number

  • 0197720539

Molecular Formulas

Molecular Formula

  • C24-H22-F-N3-O4.C-H4-O3-S.2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C24-H22-F-N3-O4
  • H2-O

Structure Descriptors

InChI

1S/C24H22FN3O4.CH4O3S.2H2O/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2/t16-,24-;;;/m0.../s1

InChIKey

FXQZOHBMBQTBMJ-MWPGLPCQSA-N

Smiles

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(c(c6c5c4[C@H](CC6)N)C)F)O.CS(=O)(=O)O.O.O