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Substance Name: 9-Hydroxy-9-desmethylcyclosporine
RN: 132362-39-1
InChIKey: PWKJLLBOZPSVQF-SOYKGTTHSA-N

Note

  • Metabolite of cyclosporine.

Molecular Weight

  • 1204.5961
 
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Names and Synonyms

Name of Substance

  • 9-Hydroxy-9-desmethylcyclosporine

Synonym

  • (9)-Hydroxy-(9)-demethylcyclosporin

Registry Numbers

CAS Registry Number

  • 132362-39-1

System Generated Number

  • 0132362391

Structure Descriptors

InChI

1S/C61H109N11O13/c1-24-27-28-38(13)50(74)49-55(79)64-41(26-3)56(80)67(18)32-45(73)70(21)48(37(12)25-2)54(78)66-46(35(8)9)59(83)68(19)43(29-33(4)5)53(77)63-39(14)51(75)62-40(15)52(76)65-42(31-61(16,17)85)57(81)69(20)44(30-34(6)7)58(82)71(22)47(36(10)11)60(84)72(49)23/h24,27,33-44,46-50,74,85H,25-26,28-32H2,1-23H3,(H,62,75)(H,63,77)(H,64,79)(H,65,76)(H,66,78)/b27-24+

InChIKey

PWKJLLBOZPSVQF-SOYKGTTHSA-N

Smiles

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C