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Substance Name: S,S-Bis(daunorubicin-14-yl)hexane-1,2-dithiol
RN: 83291-75-2
InChIKey: ZNQVCMFUKPTRCH-UHFFFAOYSA-N

Molecular Formula

  • C60-H68-N2-O20-S2

Molecular Weight

  • 1201.32
 
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Names and Synonyms

Results Name

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

Synonym

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

Systematic Name

  • 5,12-Naphthacenedione, 8,8'-(1,6-hexanediylbis(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

  • 83291-75-2

System Generated Number

  • 0083291752

Structure Descriptors

InChI

1S/C60H68N2O20S2/c1-25-49(65)31(61)17-39(79-25)81-35-21-59(75,19-29-43(35)57(73)47-45(53(29)69)51(67)27-11-9-13-33(77-3)41(27)55(47)71)37(63)23-83-15-7-5-6-8-16-84-24-38(64)60(76)20-30-44(36(22-60)82-40-18-32(62)50(66)26(2)80-40)58(74)48-46(54(30)70)52(68)28-12-10-14-34(78-4)42(28)56(48)72/h9-14,25-26,31-32,35-36,39-40,49-50,65-66,69-70,73-76H,5-8,15-24,61-62H2,1-4H3

InChIKey

ZNQVCMFUKPTRCH-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(CSCCCCCCSCC([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