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Substance Name: PEN-866
RN: 1472614-83-7
UNII: 56DL1J49LR
InChIKey: QTPZAEAYDWMVJO-GGCSAXROSA-N

Molecular Formula

  • C49-H49-N7-O9

Molecular Weight

  • 879.9661
 
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Names and Synonyms

Name of Substance

  • PEN-866

Synonyms

  • 1-Piperidinecarboxylic acid, 4-(2-(5-(3-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)-1H-indol-1-yl)ethyl)-, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl
  • Hdc SN-38
  • HSP90-targeted SN-38 conjugate PEN-866
  • PEN-866
  • STA 12-8666
  • UNII-56DL1J49LR

Registry Numbers

CAS Registry Number

  • 1472614-83-7

FDA UNII

  • 56DL1J49LR

System Generated Number

  • 1472614837

Structure Descriptors

InChI

InChI=1S/C49H49N7O9/c1-5-31-33-20-30(8-9-38(33)50-43-35(31)24-55-40(43)22-37-36(45(55)59)25-64-46(60)49(37,63)6-2)65-48(62)54-16-12-27(13-17-54)11-15-53-18-14-28-19-29(7-10-39(28)53)56-44(51-52-47(56)61)34-21-32(26(3)4)41(57)23-42(34)58/h7-10,14,18-23,26-27,57-58,63H,5-6,11-13,15-17,24-25H2,1-4H3,(H,52,61)/t49-/m0/s1

InChIKey

QTPZAEAYDWMVJO-GGCSAXROSA-N

Smiles

CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CCn7ccc8cc(ccc78)N9C(=O)NN=C9c%10cc(C(C)C)c(O)cc%10O)CC6)cc15)[C@@](O)(CC)C(=O)OC4