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Substance Name: Anthramycin methyl ether
RN: 5544-25-2
InChIKey: YRMCBQLZVBXOSJ-PCFSSPOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C17-H19-N3-O4

Molecular Weight

  • 329.3541
 
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Names and Synonyms

Results Name

  • Anthramycin methyl ether

Synonyms

  • Anthramycin 11-methyl ether
  • Anthramycin methyl ether
  • Anthramycin, methyl ether
  • Antibiotic A
  • B 89006
  • NSC 106408
  • Roche 5-9000

Systematic Names

  • 1H-Pyrrolo(2,1-c)(1,4)benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-
  • 2-Propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (11R-(2(E),11alpha,11abeta))-

Registry Numbers

CAS Registry Number

  • 5544-25-2

System Generated Number

  • 0005544252

Structure Descriptors

InChI

1S/C17H19N3O4/c1-9-3-5-11-14(15(9)22)19-16(24-2)12-7-10(4-6-13(18)21)8-20(12)17(11)23/h3-6,8,12,16,19,22H,7H2,1-2H3,(H2,18,21)/b6-4+/t12-,16+/m0/s1

InChIKey

YRMCBQLZVBXOSJ-PCFSSPOYSA-N

Smiles

Cc1ccc2c(c1O)N[C@@H]([C@@H]3CC(=CN3C2=O)/C=C/C(=O)N)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 730mg/kg (730mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 54, 1980.
mouse LD50 oral 3400ug/kg (3.4mg/kg)   "Proceedings of the International Symposium on Chemotherapy of Cancer, Lugano, Switzerland, 1964," Plattner, P.A., ed., New York, American Elsevier Pub. Co., 1964Vol. -, Pg. 303, 1964.
mouse LD50 subcutaneous 2900ug/kg (2.9mg/kg)   "Proceedings of the International Symposium on Chemotherapy of Cancer, Lugano, Switzerland, 1964," Plattner, P.A., ed., New York, American Elsevier Pub. Co., 1964Vol. -, Pg. 303, 1964.