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Substance Name: Thiopeptin B
RN: 37339-66-5
InChIKey: XLCGNZQPUQXSOY-JAVCYFNSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C71-H84-N18-O18-S6

Molecular Weight

  • 1669.9486
 
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Names and Synonyms

Name of Substance

  • Thiopeptin B

Synonyms

  • Tatemycin
  • Thiopeptin BA

Systematic Name

  • Thiopeptin B

Registry Numbers

CAS Registry Number

  • 37339-66-5

System Generated Number

  • 0037339665

Structure Descriptors

InChI

1S/C71H84N18O18S6/c1-14-37-63-82-43(22-109-63)59(100)88-52(70(13,106)34(12)92)66-84-45(24-112-66)62(108)87-48-33(11)107-68(105)40-19-36(31(9)90)35-15-16-38(50(93)49(35)78-40)77-46(25(2)3)60(101)75-28(6)54(95)72-26(4)53(94)73-29(7)56(97)89-71(69-85-44(23-113-69)58(99)86-47(32(10)91)61(102)80-37)18-17-39(79-51(71)41-20-111-65(48)81-41)64-83-42(21-110-64)57(98)74-27(5)55(96)76-30(8)67(103)104/h14-16,19-21,23-25,28-29,31-34,38-39,43,46-48,50-52,77,79,90-93,106H,4-5,8,17-18,22H2,1-3,6-7,9-13H3,(H,72,95)(H,73,94)(H,74,98)(H,75,101)(H,76,96)(H,80,102)(H,86,99)(H,87,108)(H,88,100)(H,89,97)(H,103,104)/b37-14+

InChIKey

XLCGNZQPUQXSOY-JAVCYFNSSA-N

Smiles

C/C=C/1\C2=NC(CS2)C(=O)NC(c3nc(cs3)C(=S)NC4c5nc(cs5)C6C(CCC(N6)c7nc(cs7)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)(c8nc(cs8)C(=O)NC(C(=O)N1)C(C)O)NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(NC9C=Cc1c(cc(nc1C9O)C(=O)OC4C)C(C)O)C(C)C)C)C)C(C)(C(C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 401, 1980.
mouse LD50 subcutaneous 3600mg/kg (3600mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 401, 1980.