Meclocycline sulfosalicylate

CAS Registry Number®

73816-42-9

CAS Name

Meclocycline sulfosalicylate

Molecular Formula

C22H21ClN2O8.C7H6O6S

Cite this Page

Meclocycline sulfosalicylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73816-42-9 (retrieved 2024-11-22) (CAS RN: 73816-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H21ClN2O8.C7H6O6S/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32);1-3,8H,(H,9,10)(H,11,12,13)/t10-,14-,15+,17+,22+;/m1./s1

InChIKey

InChIKey=FYSVKUUNXYGFLA-CCHMMTNSSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)([C@@H](O)[C@]3(C(=C2O)C(=O)C=4C(C3=C)=C(Cl)C=CC4O)[H])[H].C(O)(=O)C1=CC(S(=O)(=O)O)=CC=C1O

Canonical SMILES

O=C(O)C1=CC(=CC=C1O)S(=O)(=O)O.O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=C(Cl)C4C(=C)C3C(O)C2C(C1O)N(C)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-5-sulfo-, compd. with (4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Benzoic acid, 2-hydroxy-5-sulfo-, compd. with [4S-(4α,4aα,5α,5aα,12aα)]-7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Salicylic acid, 5-sulfo-, compd. with 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide
  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, [4S-(4α,4aα,5α,5aα,12aα)]-, mono(2-hydroxy-5-sulfobenzoate) (salt)
  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4S,4aR,5S,5aR,12aS)-, mono(2-hydroxy-5-sulfobenzoate) (salt)

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Deleted or Replaced CAS Registry Numbers

97357-84-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration