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Substance Name: Paclitaxel 2'-linoleyl carbonate
RN: 463952-62-7
UNII: 9C1VFB8B7X
InChIKey: FGSNWFZAHNIDKT-SEWYIPPUSA-N

Molecular Formula

  • C66-H81-N-O17

Molecular Weight

  • 1160.3559
 
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Names and Synonyms

Name of Substance

  • Paclitaxel 2'-linoleyl carbonate

Synonyms

  • Paclitaxel 2'-linoleyl carbonate
  • UNII-9C1VFB8B7X

Registry Numbers

CAS Registry Number

  • 463952-62-7

FDA UNII

  • 9C1VFB8B7X

System Generated Number

  • 0463952627

Structure Descriptors

InChI

1S/C66H81NO17/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38-51(71)81-62(76)82-55(53(45-32-25-22-26-33-45)67-59(73)46-34-27-23-28-35-46)61(75)80-48-40-66(77)58(83-60(74)47-36-29-24-30-37-47)56-64(7,49(70)39-50-65(56,41-78-50)84-44(4)69)57(72)54(79-43(3)68)52(42(48)2)63(66,5)6/h12-13,15-16,22-30,32-37,48-50,53-56,58,70,77H,8-11,14,17-21,31,38-41H2,1-7H3,(H,67,73)/b13-12-,16-15-/t48-,49-,50+,53-,54+,55+,56-,58-,64+,65-,66+/m0/s1

InChIKey

FGSNWFZAHNIDKT-SEWYIPPUSA-N

Smiles

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)O[C@H]([C@H](c1ccccc1)NC(=O)c2ccccc2)C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O