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Substance Name: Actinomycin C2
RN: 2612-14-8
UNII: 719U3YSA1F
InChIKey: QCXJFISCRQIYID-GKYLFGMSSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C63-H88-N12-O16

Molecular Weight

  • 1269.4562
 
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Names and Synonyms

Name of Substance

  • Actinomycin C2

Synonyms

  • 2(sup A)-D-Alloisoleucineactinomycin D
  • Actinomycin C2
  • Actinomycin VI
  • BRN 5387611
  • NSC 87221
  • UNII-719U3YSA1F

Systematic Names

  • Actinomycin C2
  • Actinomycin D, 2(sup A)-D-alloisoleucine- (9CI)
  • Actinomycin D, 2A-D-alloisoleucine- (9CI)

Registry Numbers

CAS Registry Number

  • 2612-14-8

FDA UNII

  • 719U3YSA1F

System Generated Number

  • 0002612148

Structure Descriptors

InChI

1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t31-,34+,35+,37-,38-,43+,44+,45-,46-,49-,50-/m0/s1

InChIKey

QCXJFISCRQIYID-GKYLFGMSSA-N

Smiles

CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 500ug/kg (0.5mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 779, 1978.