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Substance Name: Esorubicin hydrochloride [USAN]
RN: 63950-06-1
UNII: 2UB1JJT82D
InChIKey: RCFNNLSZHVHCEK-YGCMNLPTSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C27-H29-N-O10.Cl-H

Molecular Weight

  • 563.984
 
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Names and Synonyms

Name of Substance

  • Esorubicin hydrochloride [USAN]

Synonyms

  • (8S,10S)-10-(((2S,4R,6S)-4-Aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
  • 4'-Deoxydoxorubicin hydrochloride
  • 5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (2S-(2alpha(8R*,10R*),4beta,6beta))-
  • EINECS 264-575-1
  • Esorubicin HCl
  • Esorubicin hydrochloride
  • IMI 58
  • NSC 267469
  • UNII-2UB1JJT82D

Systematic Names

  • (2S-(2alpha(8R*,10R*),4beta,6beta))-10-((4-Aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride
  • 5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (2S-(2alpha(8R*,10R*),4beta,6beta))-
  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((tetrahydro-4-amino-6-methyl-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-, hydrochloride, (2S-(2-alpha(8R*,10R),4-beta,6-beta))-

Registry Numbers

CAS Registry Number

  • 63950-06-1

FDA UNII

  • 2UB1JJT82D

Related Registry Number

  • 63521-85-7 (Parent)

System Generated Number

  • 0063950061

Molecular Formulas

Molecular Formula

  • C27-H29-N-O10.Cl-H

Molecular Formula Fragments

  • C27-H29-N-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO10.ClH/c1-11-6-12(28)7-18(37-11)38-16-9-27(35,17(30)10-29)8-14-20(16)26(34)22-21(24(14)32)23(31)13-4-3-5-15(36-2)19(13)25(22)33;/h3-5,11-12,16,18,29,32,34-35H,6-10,28H2,1-2H3;1H/t11-,12+,16-,18-,27-;/m0./s1

InChIKey

RCFNNLSZHVHCEK-YGCMNLPTSA-N

Smiles

Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)C[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 9341ug/kg (9.341mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,