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Substance Name: Tyrocidine B
RN: 865-28-1
UNII: SJF9708KDB
InChIKey: PUVWPDQSNYAMEH-UQHIYWQBSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C68-H88-N14-O13.Cl-H

Molecular Weight

  • 1309.5282
 
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Names and Synonyms

Name of Substance

  • Tyrocidine B

Synonyms

  • 9-L-Tryptophantrycodine A hydrochloride
  • Tyrocidin B
  • UNII-SJF9708KDB

Systematic Names

  • Trycodine A, 9-L-tryptophan-, hydrochloride (9CI)
  • Tyrocidine B, hydrochloride

Registry Numbers

CAS Registry Number

  • 865-28-1

FDA UNII

  • SJF9708KDB

System Generated Number

  • 0000865281

Molecular Formulas

Molecular Formula

  • C68-H88-N14-O13.Cl-H

Molecular Formula Fragments

  • C68-H88-N14-O13
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C68H88N14O13/c1-38(2)31-49-61(88)80-54(34-41-17-9-6-10-18-41)68(95)82-30-14-22-55(82)66(93)79-52(35-43-37-72-46-20-12-11-19-45(43)46)63(90)77-50(32-40-15-7-5-8-16-40)62(89)78-53(36-57(71)85)64(91)73-48(27-28-56(70)84)60(87)76-51(33-42-23-25-44(83)26-24-42)65(92)81-58(39(3)4)67(94)74-47(21-13-29-69)59(86)75-49/h5-12,15-20,23-26,37-39,47-55,58,72,83H,13-14,21-22,27-36,69H2,1-4H3,(H2,70,84)(H2,71,85)(H,73,91)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,89)(H,79,93)(H,80,88)(H,81,92)/t47-,48-,49-,50+,51-,52-,53-,54+,55-,58-/m0/s1

InChIKey

PUVWPDQSNYAMEH-UQHIYWQBSA-N

Smiles

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)Cc3ccc(cc3)O)CCC(=O)N)CC(=O)N)Cc4ccccc4)Cc5c[nH]c6c5cccc6)Cc7ccccc7

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 intravenous 15mg/kg (15mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.
mouse LD50 oral 1gm/kg (1000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 269, 1980.