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Substance Name: S,S-Bis(daunorubicin-14-yl)ethane-1,2-dithiol
RN: 83291-73-0
InChIKey: DPGQASFKLZWJEE-UHFFFAOYSA-N

Molecular Formula

  • C56-H60-N2-O20-S2

Molecular Weight

  • 1145.22
 
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Names and Synonyms

Results Name

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

Synonym

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

Systematic Name

  • 5,12-Naphthacenedione, 8,8'-((1,2-ethanediylbis(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

  • 83291-73-0

System Generated Number

  • 0083291730

Structure Descriptors

InChI

1S/C56H60N2O20S2/c1-21-45(61)27(57)13-35(75-21)77-31-17-55(71,15-25-39(31)53(69)43-41(49(25)65)47(63)23-7-5-9-29(73-3)37(23)51(43)67)33(59)19-79-11-12-80-20-34(60)56(72)16-26-40(32(18-56)78-36-14-28(58)46(62)22(2)76-36)54(70)44-42(50(26)66)48(64)24-8-6-10-30(74-4)38(24)52(44)68/h5-10,21-22,27-28,31-32,35-36,45-46,61-62,65-66,69-72H,11-20,57-58H2,1-4H3

InChIKey

DPGQASFKLZWJEE-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(CSCCSCC([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)O)OC)O)C)O)N