(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11(4H,5H)-naphthacenedione

CAS Registry Number®

122861-53-4

CAS Name

(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11(4H,5H)-naphthacenedione

Molecular Formula

C23H25NO8

Molecular Mass

443.45

Cite this Page

(4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11(4H,5H)-naphthacenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122861-53-4 (retrieved 2025-04-08) (CAS RN: 122861-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H25NO8/c1-8-10-6-5-7-11(26)14(10)18(27)15-12(8)19(28)16-17(24(3)4)20(29)13(9(2)25)21(30)23(16,32)22(15)31/h5-8,12,16-17,19,26,28-29,31-32H,1-4H3/t8-,12+,16+,17-,19-,23+/m0/s1

InChIKey

InChIKey=MVCRKRBIKNEKEE-ACDFWTBPSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(C)=O)C1=O)([C@@H](O)[C@]3(C(=C2O)C(=O)C=4C([C@@H]3C)=CC=CC4O)[H])[H]

Canonical SMILES

O=C1C=2C(O)=CC=CC2C(C)C3C1=C(O)C4(O)C(=O)C(C(=O)C)=C(O)C(N(C)C)C4C3O

Other Names for this Substance

  • 1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, (4S,4aR,5S,5aR,6R,12aS)-
  • 1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-, [4S-(4α,4aα,5α,5aα,6α,12aα)]-
  • (4S,4aR,5S,5aR,6R,12aS)-2-Acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11(4H,5H)-naphthacenedione
  • 2-Acetyl-2-decarboxamidodoxycycline

CAS INSIGHTSTM
Cell Membrane Phospholipid Structure,Phospholipid bilayer of the cell membrane, Lipid bilayer