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Substance Name: Rolitetracycline nitrate
RN: 20685-78-3
InChIKey: BQYJYUVCGMONDI-HDJCBORZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-O8.H-N-O3

Molecular Weight

  • 590.5826
 
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Names and Synonyms

Results Name

  • Rolitetracycline nitrate

Synonyms

  • Bristacin-A
  • EINECS 243-968-1
  • Pyrrocycline N
  • Pyrrolidin-1-ylmethyltetracycline nitrate
  • Rolitetracycline nitrate
  • Syntetrin nitrate
  • Tetrex PMT
  • Tetrim
  • Tetriv

Systematic Names

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, mononitrate (salt)
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, mononitrate (salt)

Registry Numbers

CAS Registry Number

  • 20685-78-3

Related Registry Number

  • 751-97-3 (Parent)

System Generated Number

  • 0020685783

Molecular Formulas

Molecular Formula

  • C27-H33-N3-O8.H-N-O3

Molecular Formula Fragments

  • C27-H33-N3-O8
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C27H33N3O8.HNO3/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30;2-1(3)4/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36);(H,2,3,4)/t14-,15-,20-,26+,27-;/m0./s1

InChIKey

BQYJYUVCGMONDI-HDJCBORZSA-N

Smiles

C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCN5CCCC5)O)N(C)C)O)O)O)O.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 431mg/kg (431mg/kg)   Drugs in Japan Vol. 6, Pg. 915, 1982.
mouse LD50 intravenous 274mg/kg (274mg/kg)   Drugs in Japan Vol. 6, Pg. 915, 1982.
mouse LD50 oral 3gm/kg (3000mg/kg)   Drugs in Japan Vol. 6, Pg. 915, 1982.
rat LD50 intramuscular 300mg/kg (300mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat LD50 intravenous 91mg/kg (91mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.