Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Clomocycline [INN:BAN]
RN: 1181-54-0
UNII: YP0241BU76
InChIKey: GJGDLRSSCNAKGL-KMVLDZISSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C23-H25-Cl-N2-O9

Molecular Weight

  • 508.9085
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Clomocycline
  • Clomocycline [INN:BAN]

Synonyms

  • BRN 2715004
  • Chlormethylenecycline
  • Clomociclina
  • Clomociclina [INN-Spanish]
  • Clomocycline
  • Clomocyclinum
  • Clomocyclinum [INN-Latin]
  • N'-Methylolo-chlortetracycline
  • RTECS QT0910000
  • UNII-YP0241BU76

Systematic Names

  • 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,12a-decahydro-1,11-dioxo-N-(hydroxymethyl)-6-methyl-3,6,10,12,12a-pentahydroxy-
  • 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
  • N-2-Hydroxymethylchlortetracycline

Registry Numbers

CAS Registry Number

  • 1181-54-0

FDA UNII

  • YP0241BU76

System Generated Number

  • 0001181540

Structure Descriptors

InChI

1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1

InChIKey

GJGDLRSSCNAKGL-KMVLDZISSA-N

Smiles

C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCO)O)N(C)C)O)O)O)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 273mg/kg (273mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 501, 1978.
mouse LD50 intravenous 115mg/kg (115mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 501, 1978.
mouse LD50 oral 2830mg/kg (2830mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 501, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.540 (none)   EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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