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Substance Name: N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin
RN: 107701-62-2
InChIKey: MRTOLPUJERYBTF-KHJJNELLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H33-N-O12

Molecular Weight

  • 639.6503
 
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Names and Synonyms

Results Name

  • N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin

Synonyms

  • DR-19
  • N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((2-carboxy-1-methylethenyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 107701-62-2

System Generated Number

  • 0107701622

Structure Descriptors

InChI

1S/C33H37NO12/c1-6-44-22(36)10-14(2)34-19-11-23(45-15(3)28(19)37)46-21-13-33(42,16(4)35)12-18-25(21)32(41)27-26(30(18)39)29(38)17-8-7-9-20(43-5)24(17)31(27)40/h7-10,15,19,21,23,28,34,37,39,41-42H,6,11-13H2,1-5H3/b14-10+/t15-,19-,21-,23-,28+,33-/m0/s1

InChIKey

MRTOLPUJERYBTF-KHJJNELLSA-N

Smiles

CCOC(=O)/C=C(\C)/N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 216mg/kg (216mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 34, Pg. 239, 1986.