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Substance Name: Bacitracin methylenedisalicylic acid
RN: 55852-84-1
UNII: JGV6OJ52FT
InChIKey: POMORUSPLDFVEK-PHXAWWDYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-O6.Unspecified

Molecular Weight

  • 1728.9773
 
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Names and Synonyms

Name of Substance

  • Bacitracin methylenedisalicylic acid

Synonyms

  • Bacitracin methylene disalicylate
  • Bacitracin methylenedisalicylate
  • BMD
  • Caswell No. 066D
  • EINECS 259-862-3
  • Fortracin (bacitracin-MD)
  • Kemitracin 10
  • MD bacitracin
  • UNII-JGV6OJ52FT

Systematic Names

  • Bacitracin, methylenebis(2-hydroxybenzoate)
  • Bacitracin, methylenebis(2-hydroxybenzoate) (salt)
  • Methylenebis(2-hydroxybenzoate)bacitracin

Registry Numbers

CAS Registry Number

  • 55852-84-1

FDA UNII

  • JGV6OJ52FT

Other Registry Numbers

  • 12640-38-9
  • 1405-88-5
  • 55298-67-4
  • 8027-21-2

System Generated Number

  • 0055852841

Molecular Formulas

Molecular Formula

  • C15-H12-O6.Unspecified

Molecular Formula Fragments

  • C15-H12-O6
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/C66H105N17O17S.C15H12O6/c1-9-35(6)52(70)65-81-48(32-101-65)62(96)76-43(26-34(4)5)58(92)74-42(22-23-50(85)86)57(91)83-53(36(7)10-2)63(97)75-40(20-15-16-24-67)55(89)73-41(21-17-25-68)56(90)82-54(37(8)11-3)64(98)79-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-71-33-72-39)60(94)78-46(30-51(87)88)61(95)80-47(66(99)100)29-49(69)84;16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67-68,70H2,1-8H3,(H2,69,84)(H,71,72)(H,73,89)(H,74,92)(H,75,97)(H,76,96)(H,77,93)(H,78,94)(H,79,98)(H,80,95)(H,82,90)(H,83,91)(H,85,86)(H,87,88)(H,99,100);1-8,16-17H,9H2/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46+,47-,48?,52?,53-,54-;/m0./s1

InChIKey

POMORUSPLDFVEK-PHXAWWDYSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C3CSC(=N3)C(C(C)CC)N.c1ccc(c(c1)C(=O)OCOC(=O)c2ccccc2O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2gm/kg (2000mg/kg)   Antibiotics and Chemotherapy Vol. 4, Pg. 304, 1954.
rat LD50 oral > 10gm/kg (10000mg/kg)   Antibiotics and Chemotherapy Vol. 4, Pg. 304, 1954.