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Substance Name: Bacitracin A
RN: 22601-59-8
UNII: DDA3RRX0P7
InChIKey: CLKOFPXJLQSYAH-ABRJDSQDSA-N

Note

  • Cyclic dodecapeptide antibiotic from Bacillus licheniformis.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C66-H103-N17-O16-S

Molecular Weight

  • 1422.7087
 
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Names and Synonyms

Name of Substance

  • Bacitracin A

Synonyms

  • Baciguent
  • Bacitracin A2a
  • Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-
  • EINECS 245-115-9
  • Fortracin
  • NSC 45737
  • Solu-Tracin 50
  • UNII-DDA3RRX0P7

Systematic Names

  • Bacitracin A
  • Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-leucine)-

Registry Numbers

CAS Registry Number

  • 22601-59-8

FDA UNII

  • DDA3RRX0P7

System Generated Number

  • 0022601598

Structure Descriptors

InChI

1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1

InChIKey

CLKOFPXJLQSYAH-ABRJDSQDSA-N

Smiles

CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 158mg/kg (158mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC
British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 417, 1951.