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Substance Name: Ilamycin
RN: 11006-41-0
InChIKey: JSZUQPCUWLSQDN-JJRQYJSGSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C54-H75-N9-O12

Molecular Weight

  • 1042.2375
 
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Names and Synonyms

Synonyms

  • Ilamycin A
  • RTECS NK5824000

Systematic Name

  • Ilamycin

Registry Numbers

CAS Registry Number

  • 11006-41-0

System Generated Number

  • 0011006410

Structure Descriptors

InChI

1S/C54H75N9O12/c1-12-13-17-36-46(65)58-38(26-34-27-61(54(8,9)45-28-75-45)39-18-15-14-16-35(34)39)52(71)59(10)41(21-29(2)3)48(67)57-37(24-33-19-20-44(64)40(25-33)63(73)74)47(66)55-32(7)51(70)60(11)43-23-31(6)50(69)62(53(43)72)42(22-30(4)5)49(68)56-36/h12-16,18-20,25,27,29-32,36-38,41-43,45,50,64,69H,17,21-24,26,28H2,1-11H3,(H,55,66)(H,56,68)(H,57,67)(H,58,65)/b13-12+/t31-,32-,36-,37-,38-,41-,42-,43-,45?,50?/m0/s1

InChIKey

JSZUQPCUWLSQDN-JJRQYJSGSA-N

Smiles

C/C=C/C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H]2C[C@@H](C(N(C2=O)[C@H](C(=O)N1)CC(C)C)O)C)C)C)Cc3ccc(c(c3)[N+](=O)[O-])O)CC(C)C)C)Cc4cn(c5c4cccc5)C(C)(C)C6CO6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 294, 1980.