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Substance Name: Penimepicycline [INN:DCF]
RN: 4599-60-4
UNII: 3RGQ4B6E87
InChIKey: MEGKRPMNPGTIIG-VNYBMUHKSA-N

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Reproductive Effect

Molecular Formula

  • C29-H38-N4-O9.C16-H18-N2-O5-S

Molecular Weight

  • 937.0314
 
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Names and Synonyms

Name of Substance

  • Penimepicycline
  • Penimepicycline [INN:DCF]

Synonyms

  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide salt with phenoxymethylpenicillin
  • Duamine
  • EINECS 225-002-0
  • Hydrocycline
  • Mepicycline mixture with penicillinic acid
  • Mepicycline penicillinate
  • Penetracyne
  • Penimepiciclina
  • Penimepiciclina [DCIT]
  • Penimepicycline
  • Penimepicyclinum
  • Penimepicyclinum [INN-Latin]
  • UNII-3RGQ4B6E87

Systematic Names

  • 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide salt with phenoxymethylpenicillin
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenoxyacetamido)-, compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Penimepicycline

Registry Numbers

CAS Registry Number

  • 4599-60-4

FDA UNII

  • 3RGQ4B6E87

System Generated Number

  • 0004599604

Molecular Formulas

Molecular Formula

  • C29-H38-N4-O9.C16-H18-N2-O5-S

Molecular Formula Fragments

  • C16-H18-N2-O5-S
  • C29-H38-N4-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1

InChIKey

MEGKRPMNPGTIIG-VNYBMUHKSA-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)NCN5CCN(CC5)CCO)O)N(C)C)O)O)O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 342mg/kg (342mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
mouse LD50 oral 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
mouse LD50 subcutaneous 1096mg/kg (1096mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 intravenous 345mg/kg (345mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 oral 3990mg/kg (3990mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 subcutaneous 1550mg/kg (1550mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.