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Substance Name: Irinotecan sucrosofate [USAN]
RN: 1361317-83-0
UNII: OL741S3N8B
InChIKey: PMZSPINGJVBHAT-DJBCQDJXSA-N

Note

  • Combination of irinotecan and sucrosofate.

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C33-H38-N4-O6.xC12-H22-O35-S8

Molecular Weight

  • 1569.484
 
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Names and Synonyms

Name of Substance

  • Irinotecan sucrosofate [USAN]

Synonyms

  • BAX2398 + 5-FU/calcium levofolinate
  • Irinotecan sucrosofate
  • MM 398
  • MM-398
  • PEP 02
  • PEP-02
  • Sulfate of sucrose (ester) and of irinotecan (salt): sucrose octakis(hydrogen sulfate) salt with (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl (1,4'-bipiperidine)-1'-carboxylate (x:1)
  • UNII-OL741S3N8B

Registry Numbers

CAS Registry Number

  • 1361317-83-0

FDA UNII

  • OL741S3N8B

Other Registry Number

  • 1309931-75-6

System Generated Number

  • 1361317830

Structure Descriptors

InChI

1S/C33H38N4O6.C12H22O35S8/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t33-;4-,5-,6-,7+,8+,9-,10+,11-,12+/m01/s1

InChIKey

PMZSPINGJVBHAT-DJBCQDJXSA-N

Smiles

CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O