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Substance Name: Thiocillin I
RN: 59979-01-0
InChIKey: FEORQDDAQBRWPT-NBBXXHIDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H49-N13-O10-S6

Molecular Weight

  • 1160.3921
 
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Names and Synonyms

Synonym

  • G-15-II

Systematic Name

  • Thiocillin I

Registry Numbers

CAS Registry Number

  • 59979-01-0

System Generated Number

  • 0059979010

Structure Descriptors

InChI

1S/C48H49N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-21,32-33,35,62-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9+

InChIKey

FEORQDDAQBRWPT-NBBXXHIDSA-N

Smiles

C/C=C/1\c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4nc(cs4)-c5c(ccc(n5)c6nc(cs6)c7nc(cs7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)-c8nc(cs8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 366, 1976.
mouse LD subcutaneous > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 366, 1976.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 416, 1980.