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Substance Name: Benzo(a)naphthacene-2-carboxamide, N-(2-aminoethyl)-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-, (5S-trans)-
RN: 148677-10-5
InChIKey: XNXUJRWFYRYOFM-CLTGSWEDSA-N

Molecular Formula

  • C39-H45-N3-O16

Molecular Weight

  • 811.7895
 
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Names and Synonyms

  • Benzo(a)naphthacene-2-carboxamide, N-(2-aminoethyl)-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-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-10-5

System Generated Number

  • 0148677105

Structure Descriptors

InChI

1S/C39H45N3O16/c1-12-7-18-24(31(49)21(12)37(53)42-6-5-40)23-16(10-17-25(32(23)50)28(46)15-8-14(54-4)9-19(43)22(15)27(17)45)29(47)35(18)57-39-34(52)36(26(41-3)13(2)56-39)58-38-33(51)30(48)20(44)11-55-38/h7-10,13,20,26,29-30,33-36,38-39,41,43-44,47-52H,5-6,11,40H2,1-4H3,(H,42,53)/t13-,20-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

XNXUJRWFYRYOFM-CLTGSWEDSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCCN)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)NC)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O