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Substance Name: Bisbutiamine
RN: 3286-45-1
UNII: 217882Q07P
InChIKey: YMEBNAABDXLAJE-GPAWKIAZSA-N

Molecular Weight

  • 702.8974
 
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Names and Synonyms

Name of Substance

  • Bisbutiamine

Synonyms

  • Bisbutiamine [WHO-DD]
  • Butanoic acid, 1,1'-(dithiobis(3-(1-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)ethylidene)-3,1-propanediyl)) ester
  • UNII-217882Q07P

Registry Numbers

CAS Registry Number

  • 3286-45-1

FDA UNII

  • 217882Q07P

System Generated Number

  • 0003286451

Structure Descriptors

InChI

1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+

InChIKey

YMEBNAABDXLAJE-GPAWKIAZSA-N

Smiles

CCCC(=O)OCC/C(=C(\N(C=O)Cc1c(nc(nc1)C)N)/C)/SS/C(=C(/N(C=O)Cc2c(nc(nc2)C)N)\C)/CCOC(=O)CCC