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Substance Name: C 1027
RN: 120177-69-7
InChIKey: ITBACVYVTIJOCD-CMLCZSCGSA-N

Note

  • From actinomycete strain C-1027; an enediyne antitumor antibiotic.

Classification Codes

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Drug / Therapeutic Agent

Molecular Weight

  • 859.3005
 
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Names and Synonyms

Name of Substance

  • C 1027

Synonyms

  • C 1027
  • C-1027

Systematic Name

  • Antibiotic C-1027

Registry Numbers

CAS Registry Number

  • 120177-69-7

System Generated Number

  • 0120177697

Structure Descriptors

InChI

1S/C44H45ClN3O13/c1-23-40(53)47-35-27(19-26(55-6)20-31(35)57-23)41(54)58-32-22-56-34(50)21-29(46)25-17-28(45)38(30(49)18-25)59-33-13-9-11-24(32)12-10-16-44(33,14-7-8-15-44)61-42-37(52)36(51)39(48(4)5)43(2,3)60-42/h7-8,11,14-15,17-20,29,32-33,36-37,39,42,49,51-52H,1,16,21-22,46H2,2-6H3,(H,47,53)/b24-11+/t29-,32-,33+,36-,37+,39-,42-/m0/s1

InChIKey

ITBACVYVTIJOCD-CMLCZSCGSA-N

Smiles

COc1cc2OC(=C)C(=O)Nc2c(c1)C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(O[C@@H]5C#C\C=C\3/C#CC[C]56(O[C@@H]7OC(C)(C)[C@H]([C@@H](O)[C@H]7O)N(C)C)C=CC=C6)c(Cl)c4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50ug/kg (0.05mg/kg) GASTROINTESTINAL: OTHER CHANGES

GASTROINTESTINAL: PERITONITIS
Journal of Antibiotics. Vol. 42, Pg. 1294, 1989.
mouse LD50 intravenous 200ug/kg (0.2mg/kg) BLOOD: CHANGES IN SPLEEN

BLOOD: OTHER CHANGES

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE
Journal of Antibiotics. Vol. 42, Pg. 1294, 1989.