(4S,4′S,4aS,4′aS,5aS,5′aS,6S,6′S,12aS,12′aS)-N,N′-[1,2-Ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide]

CAS Registry Number®

15590-00-8
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CAS Name

(4S,4′S,4aS,4′aS,5aS,5′aS,6S,6′S,12aS,12′aS)-N,N′-[1,2-Ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide]

Molecular Formula

C50H60N6O16

Molecular Mass

1001.04

Cite this Page

(4S,4′S,4aS,4′aS,5aS,5′aS,6S,6′S,12aS,12′aS)-N,N′-[1,2-Ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15590-00-8 (retrieved 2024-05-18) (CAS RN: 15590-00-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

InChIKey

InChIKey=BZUKDLNEDCDORL-ULRSWZSCSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(NCN(CCN(CNC(=O)C=3C(=O)[C@]4(O)[C@]([C@H](N(C)C)C3O)(C[C@]5(C(=C4O)C(=O)C=6C([C@@]5(C)O)=CC=CC6O)[H])[H])C)C)=O)C1=O)(C[C@]7(C(=C2O)C(=O)C=8C([C@@]7(C)O)=CC=CC8O)[H])[H]

Canonical SMILES

O=C(NCN(C)CCN(C)CNC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3CC2C(C1O)N(C)C)C=5C(=O)C6(O)C(O)=C7C(=O)C=8C(O)=CC=CC8C(O)(C)C7CC6C(C5O)N(C)C

Other Names for this Substance

  • 2-Naphthacenecarboxamide, N,N′-[1,2-ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4′S,4aS,4′aS,5aS,5′aS,6S,6′S,12aS,12′aS)-
  • 2-Naphthacenecarboxamide, N,N′-[ethylenebis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-
  • 2-Naphthacenecarboxamide, N,N′-[1,2-ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-[2(4R*,4aR*,5aR*,6R*,12aR*),4α,4aα,5aα,6β,12aα]]-
  • (4S,4′S,4aS,4′aS,5aS,5′aS,6S,6′S,12aS,12′aS)-N,N′-[1,2-Ethanediylbis[(methylimino)methylene]]bis[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide]
  • Etamocycline

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Deleted or Replaced CAS Registry Numbers

17692-49-8

CAS INSIGHTSTM
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