Isochlortetracycline

CAS Registry Number®

514-53-4
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CAS Name

Isochlortetracycline

Molecular Formula

C22H23ClN2O8

Molecular Mass

478.88

Cite this Page

Isochlortetracycline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=514-53-4 (retrieved 2024-05-03) (CAS RN: 514-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1

InChIKey

InChIKey=GFSLIMZISCAANG-AXVXPIMKSA-N

SMILES

O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@@](CC2=O)([C@@]3(C)C=4C(C(=O)O3)=C(O)C=CC4Cl)[H])[H]

Canonical SMILES

O=C1OC(C=2C(Cl)=CC=C(O)C12)(C)C3CC(=O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4C3

Other Names for this Substance

  • 2-Naphthalenecarboxamide, 6-[(1S)-7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, (4S,4aS,6S,8aS)-
  • 2-Naphthalenecarboxamide, 6-(7-chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl)-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-, [4S-[4α,4aα,6β(R*),8aα]]-
  • Phthalide, 3-[6-carbamoyl-8-(dimethylamino)-1,2,3,4,4a,5,8,8a-octahydro-4a,7-dihydroxy-4,5-dioxo-2-naphthyl]-4-chloro-7-hydroxy-3-methyl-
  • (4S,4aS,6S,8aS)-6-[(1S)-7-Chloro-1,3-dihydro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-1,4,4a,5,6,7,8,8a-octahydro-3,8a-dihydroxy-1,8-dioxo-2-naphthalenecarboxamide
  • Isoaureomycin

View All

Deleted or Replaced CAS Registry Numbers

3733-98-0, 13269-20-0, 29724-57-0, 51209-77-9

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