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Substance Name: Derpanicate [INN]
RN: 99518-29-3
UNII: PBO72T5W4V
InChIKey: MEFAKOINNJLWFO-UWXQCODUSA-N

Molecular Formula

  • C46-H54-N8-O12-S2

Molecular Weight

  • 975.1086
 
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Names and Synonyms

Name of Substance

  • Derpanicate [INN]

Synonyms

  • Derpanicate
  • Nicotinic acid, tetraester with N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis((R)-2,4-dihydroxy-3,3-dimethylbutyramide)
  • UNII-PBO72T5W4V

Systematic Name

  • Nicotinic acid, tetraester with N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis((R)-2,4-dihydroxy-3,3-dimethylbutyramide).

Registry Numbers

CAS Registry Number

  • 99518-29-3

FDA UNII

  • PBO72T5W4V

System Generated Number

  • 0099518293

Structure Descriptors

InChI

1S/C46H54N8O12S2/c1-45(2,29-63-41(59)31-9-5-15-47-25-31)37(65-43(61)33-11-7-17-49-27-33)39(57)53-19-13-35(55)51-21-23-67-68-24-22-52-36(56)14-20-54-40(58)38(66-44(62)34-12-8-18-50-28-34)46(3,4)30-64-42(60)32-10-6-16-48-26-32/h5-12,15-18,25-28,37-38H,13-14,19-24,29-30H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t37-,38-/m0/s1

InChIKey

MEFAKOINNJLWFO-UWXQCODUSA-N

Smiles

CC(C)(COC(=O)c1cccnc1)[C@@H](OC(=O)c2cccnc2)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)c3cccnc3)C(C)(C)COC(=O)c4cccnc4