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Substance Name: Actinomycin D, 3(sup A)-(N-methylglycine)-3(sup B)-(N-methylglycine)-
RN: 2646-41-5
InChIKey: BSSVQOAGMLUVBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H82-N12-O16

Molecular Weight

  • 1203.35
 
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Names and Synonyms

Synonyms

  • Actinomycin A II
  • Actinomycin II

Systematic Name

  • Actinomycin D, 3(sup A)-(N-methylglycine)-3(sup B)-(N-methylglycine)-

Registry Numbers

CAS Registry Number

  • 2646-41-5

System Generated Number

  • 0002646415

Structure Descriptors

InChI

1S/C58H82N12O16/c1-25(2)40-55(80)67(15)21-34(71)65(13)23-36(73)69(17)46(27(5)6)57(82)84-31(11)42(53(78)61-40)63-51(76)33-20-19-29(9)49-44(33)60-45-38(39(59)48(75)30(10)50(45)86-49)52(77)64-43-32(12)85-58(83)47(28(7)8)70(18)37(74)24-66(14)35(72)22-68(16)56(81)41(26(3)4)62-54(43)79/h19-20,25-28,31-32,40-43,46-47H,21-24,59H2,1-18H3,(H,61,78)(H,62,79)(H,63,76)(H,64,77)

InChIKey

BSSVQOAGMLUVBX-UHFFFAOYSA-N

Smiles

O=C(N[C@@H]1[C@@H](OC(=O)[C@@H](C(C)C)N(C)C(CN(C)C(=O)CN(C)C(=O)[C@@H](C(C)C)NC1=O)=O)C)c1ccc(C)c2oc3c(nc12)c(C(N[C@@H]1[C@@H](OC(=O)[C@@H](C(C)C)N(C)C(CN(C)C(=O)CN(C(=O)[C@@H](NC1=O)C(C)C)C)=O)C)=O)c(c(c3C)=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6mg/kg (6mg/kg)   Antibiotics and Chemotherapy Vol. 10, Pg. 221, 1960.