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Substance Name: Amicetin
RN: 17650-86-1
UNII: 0909X15C85
InChIKey: HDNVYHWHCVTDIV-ZENIWSRCSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C29-H42-N6-O9

Molecular Weight

  • 618.684
 
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Names and Synonyms

Name of Substance

  • Amicetin

Synonyms

  • 4-25-00-03661 (Beilstein Handbook Reference)
  • AI3-50806
  • Allomycin
  • Allomycin (VAN)
  • Amicetin
  • Amicetin (VAN)
  • Amicetin-A
  • BRN 0102092
  • D-13
  • NSC 5340
  • Sacromycin
  • Sacromycin (VAN)
  • U-4761
  • UNII-0909X15C85

Systematic Names

  • Amicetin
  • Benzamide, 4-((2-amino-3-hydroxy-2-methyl-1-oxopropyl)amino)-N-(1-(5-((4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)oxy)-tet
  • Hydracrylanilide, 2-amino-4'-((1,2-dihydro-2-oxo-1-(2,3,6-trideoxy-4-O-(4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)-beta-D-erythro-hexopyranosyl)-4-pyrimidinyl)carbamoyl)-2-methyl- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 17650-86-1

FDA UNII

  • 0909X15C85

System Generated Number

  • 0017650861

Structure Descriptors

InChI

1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1

InChIKey

HDNVYHWHCVTDIV-ZENIWSRCSA-N

Smiles

n1([C@@H]2O[C@@H]([C@@H](O[C@@H]3[C@@H]([C@H]([C@H](N(C)C)[C@H](O3)C)O)O)CC2)C)c(nc(NC(c2ccc(NC([C@@](CO)(C)N)=O)cc2)=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 14mg/kg (14mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 intraperitoneal 530mg/kg (530mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 214, 1981.
mouse LD50 intravenous 6800ug/kg (6.8mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 120, 1967.
mouse LD50 oral 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 214, 1981.
mouse LD50 subcutaneous 57mg/kg (57mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 120, 1967.
mouse LDLo intramuscular 300mg/kg (300mg/kg)   Journal of Antibiotics, Series A. Vol. 8, Pg. 148, 1955.
rat LD50 oral 3600mg/kg (3600mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 167 deg C   EXP
pKa Dissociation Constant 10.4 (none)   EXP
log P (octanol-water) -1.470 (none)   EST
Water Solubility 2000 mg/L 25 EXP
Atmospheric OH Rate Constant 3.21E-10 cm3/molecule-sec 25 EST

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