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Substance Name: Oxeclosporin [INN]
RN: 135548-15-1
UNII: R7988D03JM
InChIKey: XZDDMPMZGYEESG-VNHFGJPGSA-N

Note

  • A hydroxyethyl derivative of serine(8)-cyclosporine; inhibits proliferation and functions of lymphocytes.

Molecular Formula

  • C64-H115-N11-O14

Molecular Weight

  • 1262.68
 
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Names and Synonyms

Name of Substance

  • Oxeclosporin [INN]
  • Sdz imm 125

Synonyms

  • Cyclo(((2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-O-(2-hydroxyethyl)-D-seryl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)
  • Oxeclosporin
  • UNII-R7988D03JM

Systematic Names

  • Cyclo(((2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-2-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-O-(2-hydroxyethyl)-D-seryl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)
  • Cyclosporin A, 2-(O-(2-hydroxyethyl)-D-serine)-

Registry Numbers

CAS Registry Number

  • 135548-15-1

FDA UNII

  • R7988D03JM

System Generated Number

  • 0135548151

Structure Descriptors

InChI

1S/C64H115N11O14/c1-24-26-27-42(15)54(78)53-58(82)66-44(25-2)59(83)69(17)34-50(77)70(18)46(30-36(3)4)57(81)68-51(40(11)12)63(87)71(19)47(31-37(5)6)56(80)65-43(16)55(79)67-45(35-89-29-28-76)60(84)72(20)48(32-38(7)8)61(85)73(21)49(33-39(9)10)62(86)74(22)52(41(13)14)64(88)75(53)23/h24,26,36-49,51-54,76,78H,25,27-35H2,1-23H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1

InChIKey

XZDDMPMZGYEESG-VNHFGJPGSA-N

Smiles

N1([C@H](C(N[C@H](C(N(CC(N([C@H](C(N[C@H](C(N([C@H](C(=O)N[C@H](C(N[C@@H](C(N([C@H](C(N([C@H](C(N([C@H](C1=O)C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)COCCO)=O)C)CC(C)C)C)=O)C(C)C)=O)CC(C)C)C)=O)C)=O)CC)=O)[C@@H]([C@@H](C\C=C\C)C)O)C