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Substance Name: Geclosporin [INN]
RN: 74436-00-3
UNII: UA3JNW70T9
InChIKey: ZMKGDQSIRSGUDJ-VSROPUKISA-N

Note

  • Similar immunosuppressive actions as cyclosporin, but without nephrotoxic side effects; cyclosporin A analog.

Molecular Formula

  • C63-H113-N11-O12

Molecular Weight

  • 1216.6507
 

Classification Codes

  • Immunologic Factors
  • Immunosuppressive Agents
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Names and Synonyms

Name of Substance

  • Cyclosporin G
  • Geclosporin [INN]

Synonyms

  • Cyclo(((2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-norvalyl-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 G
  • Geclosporin
  • UNII-UA3JNW70T9

Systematic Names

  • Cyclo(((2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl)-L-norvalyl-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 A, 7-L-norvaline-

Registry Numbers

CAS Registry Number

  • 74436-00-3

FDA UNII

  • UA3JNW70T9

System Generated Number

  • 0074436003

Structure Descriptors

InChI

1S/C63H113N11O12/c1-25-27-29-41(15)53(76)52-57(80)66-44(28-26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27,35-48,50-53,76H,26,28-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

InChIKey

ZMKGDQSIRSGUDJ-VSROPUKISA-N

Smiles

CCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C