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Substance Name: Actinomycin X2
RN: 18865-48-0
InChIKey: GQZJMUMSSGCVFS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C62-H84-N12-O17

Molecular Weight

  • 1269.41
 
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Names and Synonyms

Synonyms

  • 1H-Pyrrolo(2,1-i)(1,4,7,10,13)oxatetraazacyclohexadecine, cyclic peptide deriv.
  • 3H-Phenoxazine, actinomycin D deriv.
  • Actinomycin D, 3A-(4-oxo-L-proline)-
  • Actinomycin-V
  • EINECS 242-636-3

Systematic Names

  • Actinomycin D, 3A-(4-oxo-L-proline)-
  • Actinomycin X2

Registry Numbers

CAS Registry Number

  • 18865-48-0

Other Registry Numbers

  • 1402-61-5
  • 23714-40-1

System Generated Number

  • 0018865480

Structure Descriptors

InChI

1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)

InChIKey

GQZJMUMSSGCVFS-UHFFFAOYSA-N

Smiles

c1(ccc(C)c2oc3c(nc12)c(c(c(c3C)=O)N)C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CC(C2)=O)=O)C(C)C)=O)=O)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300ug/kg (0.3mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1625, 1985.
mouse LD50 intravenous 1mg/kg (1mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(2), Pg. 48, 1980.
mouse LD50 subcutaneous 300ug/kg (0.3mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 427, 1977.