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Substance Name: S,S-Bis(daunorubicin-14-yl)propane-1,2-dithiol
RN: 83291-74-1
InChIKey: XIJRBEQGORQLSA-UHFFFAOYSA-N

Molecular Formula

  • C57-H62-N2-O20-S2

Molecular Weight

  • 1159.24
 
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Names and Synonyms

Results Name

  • S,S-Bis(daunorubicin-14-yl)propane-1,2-dithiol

Synonym

  • S,S-Bis(daunorubicin-14-yl)propane-1,2-dithiol

Systematic Name

  • 5,12-Naphthacenedione, 8,8-(1,3-propanediylbis(thio(1-oxo-2,1-ethanediyl)))bis(10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-(8alpha,8(8'S*,10'S*),10alpha))-

Registry Numbers

CAS Registry Number

  • 83291-74-1

System Generated Number

  • 0083291741

Structure Descriptors

InChI

1S/C57H62N2O20S2/c1-22-46(62)28(58)14-36(76-22)78-32-18-56(72,16-26-40(32)54(70)44-42(50(26)66)48(64)24-8-5-10-30(74-3)38(24)52(44)68)34(60)20-80-12-7-13-81-21-35(61)57(73)17-27-41(33(19-57)79-37-15-29(59)47(63)23(2)77-37)55(71)45-43(51(27)67)49(65)25-9-6-11-31(75-4)39(25)53(45)69/h5-6,8-11,22-23,28-29,32-33,36-37,46-47,62-63,66-67,70-73H,7,12-21,58-59H2,1-4H3

InChIKey

XIJRBEQGORQLSA-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H](O[C@@H]1O[C@@H]1c2c(c3C(=O)c4c(cccc4C(=O)c3c(c2C[C@@](C1)(O)C(=O)CSCCCSCC([C@@]1(C[C@@H](c2c(c3C(c4c(cccc4C(c3c(c2C1)O)=O)OC)=O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)N)O)C)O)=O)O)OC)O)C)O)N