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Substance Name: 8-Hydroxy-6,7-dihydro-(4-(2-butenyl)-4,N-dimethylthreonine)cyclosporin
RN: 121886-75-7
InChIKey: HTHPJMCQQNKDHH-UHFFFAOYSA-N

Note

  • Metabolite of cyclosporin A.

Molecular Formula

  • C62-H113-N11-O13

Molecular Weight

  • 1220.6387
 
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Names and Synonyms

Name of Substance

  • 8-Hydroxy-6,7-dihydro-(4-(2-butenyl)-4,N-dimethylthreonine)cyclosporin

Synonyms

  • (8-Hydroxy-6,7-dihydro-mebmt)cyclosporin
  • Dihydro-csa M17

Systematic Name

  • Cyclosporin A, 6-((3R,4R)-3,8-dihydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-

Registry Numbers

CAS Registry Number

  • 121886-75-7

System Generated Number

  • 0121886757

Structure Descriptors

InChI

1S/C62H113N11O13/c1-24-43-58(82)67(17)33-48(75)68(18)44(29-34(2)3)55(79)66-49(38(10)11)61(85)69(19)45(30-35(4)5)54(78)63-41(15)53(77)64-42(16)57(81)70(20)46(31-36(6)7)59(83)71(21)47(32-37(8)9)60(84)72(22)50(39(12)13)62(86)73(23)51(56(80)65-43)52(76)40(14)27-25-26-28-74/h34-47,49-52,74,76H,24-33H2,1-23H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)

InChIKey

HTHPJMCQQNKDHH-UHFFFAOYSA-N

Smiles

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