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Substance Name: Carbomycin [INN]
RN: 4564-87-8
UNII: AIK0XUF3AV
InChIKey: FQVHOULQCKDUCY-OGHXVOSASA-N

Note

  • From Streptomyces halstedii.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H67-N-O16

Molecular Weight

  • 841.9823
 
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Names and Synonyms

Name of Substance

  • Carbomycin
  • Carbomycin A
  • Carbomycin [INN]

Synonyms

  • AI3-50160
  • Carbomicina
  • Carbomicina [INN-Spanish]
  • Carbomycin
  • Carbomycin acetate
  • Carbomycine
  • Carbomycine [INN-French]
  • Carbomycinum
  • Carbomycinum [INN-Latin]
  • Deltamycin A4
  • GS MAI 5201 52 3
  • GS-MAI 5201-52-3
  • Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate
  • M-4209
  • Magnamycin
  • Magnamycin (VAN)
  • Magnamycin A
  • NSC 51001
  • UNII-AIK0XUF3AV

Systematic Names

  • An antibiotic obtained from cultures of Streptomyces halstedii, or the same substance produced by any other means
  • Carbomycin A (8CI)
  • Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-

Registry Numbers

CAS Registry Number

  • 4564-87-8

FDA UNII

  • AIK0XUF3AV

System Generated Number

  • 0004564878

Structure Descriptors

InChI

1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

InChIKey

FQVHOULQCKDUCY-OGHXVOSASA-N

Smiles

CO[C@H]1[C@@H](CC(=O)O[C@H](C)C[C@@H]2O[C@H]2\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1gm/kg (1000mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 117, 1953.
mouse LD50 intravenous 550mg/kg (550mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 117, 1953.
mouse LD50 oral 3500mg/kg (3500mg/kg)   Antibiotics Annual. Vol. 2, Pg. 336, 1954/1955.
mouse LD50 subcutaneous 2950mg/kg (2950mg/kg)   Antibiotics and Chemotherapy Vol. 3, Pg. 117, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.61 (none) 25 EXP
log P (octanol-water) 3.04 (none)   EXP
Water Solubility 0.101 mg/L 25 EST
Vapor Pressure 8.25E-28 mm Hg 25 EST
Henry's Law Constant 3.34E-36 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.32E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.