Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aclarubicin hydrochloride [JAN]
RN: 75443-99-1
UNII: 501948RI66
InChIKey: KUSMIBXCRZTVML-PCCPLWKKSA-N

Note

  • An anthracycline produced by Streptomyces galilaeus. It has potent antineoplastic activity.

Molecular Formula

  • C42-H53-N-O15.Cl-H

Molecular Weight

  • 848.3336
 

Classification Codes

  • Antibiotics
  • Antineoplastic
  • Drug / Therapeutic Agent
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Aclarubicin hydrochloride [JAN]

Synonyms

  • Aclacinomycin A hydrochloride
  • Aclacinon
  • Aclaplastin
  • Aclarubicin HCl
  • Aclarubicin hydrochloride
  • Aclarubicina clorhidrato
  • Aclarubicina clorhidrato [Spanish]
  • EINECS 278-209-3
  • UNII-501948RI66

Systematic Names

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, hydrochloride, (1R-(1-alpha,2-beta,4-beta))-
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-l-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-, methyl ester, hydrochloride, (1R-(1alpha,2beta,4beta))-

Registry Numbers

CAS Registry Number

  • 75443-99-1

FDA UNII

  • 501948RI66

System Generated Number

  • 0075443991

Molecular Formulas

Molecular Formula

  • C42-H53-N-O15.Cl-H

Molecular Formula Fragments

  • C42-H53-N-O15
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C42H53NO15.ClH/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29;/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3;1H/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+;/m0./s1

InChIKey

KUSMIBXCRZTVML-PCCPLWKKSA-N

Smiles

CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 6mg/kg (6mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 1204, 1981.
hamster LD50 intramuscular 22100ug/kg (22.1mg/kg)   Medicamentos de Actualidad. Vol. 18, Pg. 513, 1982.
mouse LD50 intramuscular 27700ug/kg (27.7mg/kg)   Medicamentos de Actualidad. Vol. 18, Pg. 513, 1982.
mouse LD50 intraperitoneal 29430ug/kg (29.43mg/kg)   Drugs in Japan Vol. -, Pg. 5, 1995.
mouse LD50 intravenous 32470ug/kg (32.47mg/kg)   Drugs in Japan Vol. -, Pg. 5, 1995.
mouse LD50 oral 62540ug/kg (62.54mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1999, 1981.
mouse LD50 subcutaneous 33900ug/kg (33.9mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1999, 1981.
rat LD50 intramuscular 37500ug/kg (37.5mg/kg)   Medicamentos de Actualidad. Vol. 18, Pg. 513, 1982.
rat LD50 intraperitoneal 17930ug/kg (17.93mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1999, 1981.
rat LD50 intravenous 25710ug/kg (25.71mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1999, 1981.
rat LD50 oral 58560ug/kg (58.56mg/kg)   Drugs in Japan Vol. -, Pg. 5, 1995.
rat LD50 subcutaneous 20mg/kg (20mg/kg)   Drugs in Japan Vol. -, Pg. 5, 1995.