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Substance Name: BRN 4648909
RN: 98805-73-3
InChIKey: GKVGAXKJOIWACL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C56-H76-N2-O25

Molecular Weight

  • 1177.2054
 
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Names and Synonyms

Results Name

  • BRN 4648909

Synonym

  • BRN 4648909

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-5-((O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,13-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-

Registry Numbers

CAS Registry Number

  • 98805-73-3

System Generated Number

  • 0098805733

Structure Descriptors

InChI

1S/C56H76N2O25/c1-20-42(61)29(71-10)16-33(74-20)78-31-18-55(6,68)40(52(67)73-12)24-13-25-37(45(64)36(24)31)46(65)38-27(59)14-26-49(39(38)44(25)63)82-53-47(66)41(57(8)9)51(56(26,7)83-53)81-32-15-28(60)48(22(3)76-32)79-35-19-54(5,58(69)70)50(23(4)77-35)80-34-17-30(72-11)43(62)21(2)75-34/h13-14,20-23,28-35,40-43,47-48,50-51,53,59-62,64,66,68H,15-19H2,1-12H3

InChIKey

GKVGAXKJOIWACL-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)O)OC)(C)[N+](=O)[O-])O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)O