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Substance Name: Alisporivir [USAN:INN]
RN: 254435-95-5
UNII: VBP9099AA6
InChIKey: OLROWHGDTNFZBH-XEMWPYQTSA-N

Notes

  • Non-immunosuppressive cyclosporin that is a potent inhibitor of hepatitis C virus replication in vitro;.
  • Nonimmunosuppressive cyclosporin analog.

Molecular Formula

  • C63-H113-N11-O12

Molecular Weight

  • 1216.6507
 

Classification Code

  • Antiviral, Chronic Hepatitis C
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Names and Synonyms

Name of Substance

  • Alisporivir
  • Alisporivir [USAN:INN]

Synonyms

  • Alisporivir
  • DEB025
  • Debio 025
  • UNII-VBP9099AA6
  • UNIL 025

Systematic Name

  • Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-D-alanyl-N-ethyl-L-valyl-L-valyl-N-methyl-L-leucyl)

Registry Numbers

CAS Registry Number

  • 254435-95-5

FDA UNII

  • VBP9099AA6

Other Registry Number

  • 860642-18-8

System Generated Number

  • 0254435955

Structure Descriptors

InChI

1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1

InChIKey

OLROWHGDTNFZBH-XEMWPYQTSA-N

Smiles

CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)CC)C)C