2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2)

CAS Registry Number®

153621-80-8

CAS Name

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2)

Molecular Formula

C23H26N4O9.2H2O4S

Molecular Mass

698.63

Cite this Page

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153621-80-8 (retrieved 2025-05-09) (CAS RN: 153621-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H26N4O9.H2O4S/c1-25(2)11-7-12(27(35)36)17(28)14-9(11)5-8-6-10-16(26(3)4)19(30)15(22(24)33)21(32)23(10,34)20(31)13(8)18(14)29;1-5(2,3)4/h7-8,10,16,28,30-31,34H,5-6H2,1-4H3,(H2,24,33);(H2,1,2,3,4)/t8-,10-,16-,23-;/m0./s1

InChIKey

InChIKey=GEMWHDLVDQRCCU-KBTHSJHISA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(N(=O)=O)C4O)[H])[H].S(=O)(=O)(O)O

Canonical SMILES

O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=C(C=C(C4CC3CC2C(C1O)N(C)C)N(C)C)N(=O)=O.O=S(=O)(O)O

Other Names for this Substance

  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2)
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, [4S-(4α,4aα,5aα,12aα)]-, sulfate (1:2) (salt)
  • 9-Nitrominocycline disulfate

CAS INSIGHTSTM
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