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Substance Name: Benzo(a)naphthacene-2-carboxamide, 5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-N-(1H-tetrazol-5-ylmethyl)-, (5S-trans)-
RN: 148677-07-0
InChIKey: NWCNVWPHFJYQDG-PCAYTWTGSA-N

Molecular Formula

  • C39-H42-N6-O16

Molecular Weight

  • 850.7868
 
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Names and Synonyms

  • Benzo(a)naphthacene-2-carboxamide, 5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-N-(1H-tetrazol-5-ylmethyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-07-0

System Generated Number

  • 0148677070

Structure Descriptors

InChI

1S/C39H42N6O16/c1-11-5-17-24(31(52)21(11)37(56)41-9-20-42-44-45-43-20)23-15(8-16-25(32(23)53)28(49)14-6-13(57-4)7-18(46)22(14)27(16)48)29(50)35(17)60-39-34(55)36(26(40-3)12(2)59-39)61-38-33(54)30(51)19(47)10-58-38/h5-8,12,19,26,29-30,33-36,38-40,46-47,50-55H,9-10H2,1-4H3,(H,41,56)(H,42,43,44,45)/t12-,19-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

NWCNVWPHFJYQDG-PCAYTWTGSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCc3[nH]nnn3)O)-c4c(cc5c(c4O)C(=O)c6cc(cc(c6C5=O)O)OC)[C@@H]([C@H]2O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)NC)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O