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Substance Name: Valspodar [USAN:INN:BAN]
RN: 121584-18-7
UNII: Q7ZP55KF3X
InChIKey: YJDYDFNKCBANTM-QCWCSKBGSA-N

Note

  • Nonimmunosuppressive cyclosporin analog which is a potent multidrug resistance modifier; 7-10 fold more potent than cyclosporin A; a potent P glycoprotein inhibitor.

Molecular Formula

  • C63-H111-N11-O12

Molecular Weight

  • 1214.63
 

Classification Codes

  • Antineoplastic
  • Multidrug Resistance Inhibitor
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Names and Synonyms

Name of Substance

  • Valspodar
  • Valspodar [USAN:INN:BAN]

Synonyms

  • 3'-Keto-bmt(1)-val(2)-cyclosporin A
  • Amdray
  • Cyclo(((2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoyl)-L-valyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)
  • Cyclosporin D, 6-((2S,4R,6E)-4-methyl-2-methylamino)-3-oxo-6-octenoic acid)-
  • Psc 833
  • PSC-833
  • PSC833
  • SDZ PSC 833
  • Sdz-psc-833
  • UNII-Q7ZP55KF3X
  • Valspodar

Systematic Name

  • Cyclosporin A, 6-((R-(E))-6,7-didehydro-N,4-dimethyl-3-oxo-L-2-aminooctanoic acid)-7-L-valine-

Registry Numbers

CAS Registry Number

  • 121584-18-7

FDA UNII

  • Q7ZP55KF3X

System Generated Number

  • 0121584187

Structure Descriptors

InChI

1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1

InChIKey

YJDYDFNKCBANTM-QCWCSKBGSA-N

Smiles

N1(C([C@@H](N(C([C@@H](N(C([C@@H](N(C([C@H](NC([C@@H](NC(=O)[C@@H](N(C([C@@H](NC([C@@H](N(C(CN(C([C@@H](NC([C@@H]1C(=O)[C@@H](C\C=C\C)C)=O)C(C)C)=O)C)=O)C)CC(C)C)=O)C(C)C)=O)C)CC(C)C)C)=O)C)=O)C)CC(C)C)=O)C)CC(C)C)=O)C)C(C)C)=O)C