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Substance Name: Theprubicin
RN: 95343-20-7
UNII: E7V83174BE
InChIKey: ZPHYPKKFSHAVOE-YZIXBPQXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H37-N-O12.Cl-H

Molecular Weight

  • 664.1002
 
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Names and Synonyms

Results Name

  • Theprubicin

Name of Substance

  • Pirarubicin hydrochloride

Synonyms

  • Theprubicin
  • UNII-E7V83174BE

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-(8-alpha,10-alpha-(S*)))-

Registry Numbers

CAS Registry Number

  • 95343-20-7

FDA UNII

  • E7V83174BE

System Generated Number

  • 0095343207

Molecular Formulas

Molecular Formula

  • C32-H37-N-O12.Cl-H

Molecular Formula Fragments

  • C32-H37-N-O12
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H37NO12.ClH/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38;/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3;1H/t14-,17-,19-,21+,22-,31+,32-;/m0./s1

InChIKey

ZPHYPKKFSHAVOE-YZIXBPQXSA-N

Smiles

Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
mouse LD50 intravenous 14mg/kg (14mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
mouse LD50 oral 420mg/kg (420mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
mouse LD50 subcutaneous 16900ug/kg (16.9mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intraperitoneal 20300ug/kg (20.3mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intravenous 18100ug/kg (18.1mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 oral > 1013mg/kg (1013mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 subcutaneous 21800ug/kg (21.8mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.