2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1), (4S,4aR,5S,5aR,6S,12aS)-

CAS Registry Number®

13303-91-8

CAS Name

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1), (4S,4aR,5S,5aR,6S,12aS)-

Molecular Formula

C22H24N2O9.1/2Ca

Cite this Page

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1), (4S,4aR,5S,5aR,6S,12aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13303-91-8 (retrieved 2024-11-22) (CAS RN: 13303-91-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H24N2O9.Ca/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/t12-,13-,14+,17+,21-,22+;/m1./s1

InChIKey

InChIKey=PXHNZLVKNQBVRS-IFLJXUKPSA-N

SMILES

O[C@@]12[C@@]([C@@H](O)[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(N)=O)C2=O)[H].[Ca]

Canonical SMILES

[Ca].O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3C(O)C2C(C1O)N(C)C

Other Names for this Substance

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1), (4S,4aR,5S,5aR,6S,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1)
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, calcium salt (2:1), [4S-(4α,4aα,5α,5aα,6β,12aα)]-
  • Calcium dioxytetracycline
  • Calcium-oxytetracycline complex

View All

Deleted or Replaced CAS Registry Numbers

1323-44-0, 57122-98-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration