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Substance Name: Actinomycin X2, fluoro-
RN: 99732-69-1
InChIKey: PDOLXCBSVPYAHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C62-H83-F-N12-O17

Molecular Weight

  • 1287.4027
 
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Names and Synonyms

Synonyms

  • Actinomycin D, 7-fluoro-3(sup A)-(4-oxo-L-proline)-
  • Fluoroactinomycin X2

Systematic Name

  • Actinomycin X2, fluoro-

Registry Numbers

CAS Registry Number

  • 99732-69-1

System Generated Number

  • 0099732691

Structure Descriptors

InChI

1S/C62H83FN12O17/c1-25(2)42-59(86)74-19-17-18-36(74)57(84)70(13)23-38(77)72(15)48(27(5)6)61(88)90-31(11)44(55(82)66-42)68-53(80)34-21-35(63)29(9)51-46(34)65-47-40(41(64)50(79)30(10)52(47)92-51)54(81)69-45-32(12)91-62(89)49(28(7)8)73(16)39(78)24-71(14)58(85)37-20-33(76)22-75(37)60(87)43(26(3)4)67-56(45)83/h21,25-28,31-32,36-37,42-45,48-49H,17-20,22-24,64H2,1-16H3,(H,66,82)(H,67,83)(H,68,80)(H,69,81)

InChIKey

PDOLXCBSVPYAHO-UHFFFAOYSA-N

Smiles

Cc1c(cc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CC(=O)CN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140ug/kg (0.14mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1625, 1985.