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Substance Name: Voclosporin [USAN:INN]
RN: 515814-01-4
UNII: 2PN063X6B1
InChIKey: BICRTLVBTLFLRD-PTWUADNWSA-N

Note

  • Semi-synthetic cyclosporine A analog & calcineurin inhibitor.

Classification Code

  • Immunosuppressant

Molecular Formula

  • C63-H111-N11-O12

Molecular Weight

  • 1214.6349
 
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Names and Synonyms

Name of Substance

  • Voclosporin [USAN:INN]

Synonyms

  • ISA247
  • ISAtx 247
  • ISAtx-247
  • ISATX247
  • Luveniq
  • LX211
  • R 1524
  • trans-ISA 247
  • UNII-2PN063X6B1
  • Voclosporin

Registry Numbers

CAS Registry Number

  • 515814-01-4

FDA UNII

  • 2PN063X6B1

Other Registry Number

  • 368455-04-3

System Generated Number

  • 0515814014

Structure Descriptors

InChI

1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(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/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

InChIKey

BICRTLVBTLFLRD-PTWUADNWSA-N

Smiles

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)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