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Substance Name: Ruclosporin [USAN]
RN: 882569-97-3
UNII: SXQ3I65R57
InChIKey: DZAWKZBRQVCGKX-ASXKUNBESA-N

Classification Codes

  • Calcineurin Inhibitors
  • Enzyme Inhibitors

Molecular Formula

  • C68-H122-N12-O14

Molecular Weight

  • 1331.7818
 
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Names and Synonyms

Name of Substance

  • Ruclosporin [USAN]

Synonyms

  • Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-3-hydroxy-N,4-dimethyl-L-2-aminooct-6-enoyl-L-2-aminobutanoyl-(2R)-N-methyl-2-(2-(morpholin-4-yl)ethoxy)glycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl)
  • Cyclosporin A, 8-((2R)-N-methyl-2-(2-(4-morpholinyl)ethoxy)glycine)-
  • Ruclosporin
  • Ruclosporin [USAN]
  • SCY 641
  • SCY-641
  • UNII-SXQ3I65R57

Systematic Name

  • Cyclosporin A, 8-((2R)-N-methyl-2-(2-(4-morpholinyl)ethoxy)glycine)-

Registry Numbers

CAS Registry Number

  • 882569-97-3

FDA UNII

  • SXQ3I65R57

System Generated Number

  • 0882569973

Structure Descriptors

InChI

InChI=1S/C68H122N12O14/c1-25-27-28-45(15)56(81)55-60(85)71-48(26-2)62(87)79(24)68(94-34-31-80-29-32-93-33-30-80)67(92)74(19)50(36-40(5)6)59(84)72-53(43(11)12)65(90)73(18)49(35-39(3)4)58(83)69-46(16)57(82)70-47(17)61(86)75(20)51(37-41(7)8)63(88)76(21)52(38-42(9)10)64(89)77(22)54(44(13)14)66(91)78(55)23/h25,27,39-56,68,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1

InChIKey

DZAWKZBRQVCGKX-ASXKUNBESA-N

Smiles

CC[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)[C@@H](OCCN2CCOCC2)N(C)C1=O)C(C)C