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Substance Name: Aclacinomycin B
RN: 57596-79-9
UNII: P8EJD9HI5K
InChIKey: RQHZAASWYUEYCJ-NFJBMJLVSA-N

Classification Codes

  • Adjuvants, Immunologic
  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Immunologic Factors
  • Mutation Data
  • Natural Product

Molecular Formula

  • C42-H51-N-O15

Molecular Weight

  • 809.8569
 
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Names and Synonyms

Name of Substance

  • Aclacinomycin B

Synonyms

  • Aclacinomycin B
  • Aclarubicin B
  • Antibiotic 77-3082B
  • Antibiotic MA 144B1
  • NSC 208735
  • UNII-P8EJD9HI5K

Systematic Name

  • 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 57596-79-9

FDA UNII

  • P8EJD9HI5K

System Generated Number

  • 0057596799

Structure Descriptors

InChI

1S/C42H51NO15/c1-8-42(50)16-28(32-21(34(42)40(49)51-7)12-22-33(37(32)48)36(47)31-20(35(22)46)10-9-11-24(31)44)56-29-13-23(43(5)6)38(18(3)52-29)57-30-15-26-39(19(4)53-30)58-41-27(55-26)14-25(45)17(2)54-41/h9-12,17-19,23,26-30,34,38-39,41,44,48,50H,8,13-16H2,1-7H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41-,42+/m0/s1

InChIKey

RQHZAASWYUEYCJ-NFJBMJLVSA-N

Smiles

CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)cccc8C(=O)c7cc6[C@H]1C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13700ug/kg (13.7mg/kg)   Journal of Antibiotics. Vol. 28, Pg. 830, 1975.
mouse LD50 intravenous 16400ug/kg (16.4mg/kg)   Journal of Antibiotics. Vol. 28, Pg. 830, 1975.
rabbit LD50 intravenous 5mg/kg (5mg/kg)   Yiyao Gongye. Pharmaceutical Industry. Vol. 17, Pg. 72, 1986.