Product Name

  • Name

    ACTINONIN

  • EINECS
  • CAS No. 13434-13-4
  • Article Data8
  • CAS DataBase
  • Density 1.14 g/cm3
  • Solubility
  • Melting Point 137-139°C
  • Formula C19H35N3O5
  • Boiling Point
  • Molecular Weight 385.504
  • Flash Point
  • Transport Information
  • Appearance Off-white solid
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 13434-13-4 (ACTINONIN)
  • Hazard Symbols
  • Synonyms Actinonine(7CI);Butanediamide, N4-hydroxy-N1-[1-[[2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-pentyl-,stereoisomer;Octanohydroxamic acid,3-[[1-[[2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamoyl]-(8CI);(-)-Actinonin;Actinonin;CONA 57;Ro 06-1467;
  • PSA 118.97000
  • LogP 1.92220

Actinonin Specification

The Actinonin is an organic compound with the formula C19H35N3O5. The IUPAC name of this chemical is (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide. With the CAS registry number 13434-13-4, it is also named as Butanediamide, N4-hydroxy-N1-(1-((2-(hydroxymethyl)-1-pyrrolidinyl)carbonyl)-2-methylpropyl)-2-pentyl-, stereoisomer. The product's categories are All Inhibitors; Inhibitors. Besides, it should be stored in a closed cool and dry place at temperature of -20 °C.

Physical properties about Actinonin are: (1)ACD/LogP: 0.59 ; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 1.65; (5)ACD/BCF (pH 7.4): 1.63; (6)ACD/KOC (pH 5.5): 49.91; (7)ACD/KOC (pH 7.4): 49.07; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 13; (11)Polar Surface Area: 79.39 Å2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 101.7 cm3; (14)Molar Volume: 338.1 cm3; (15)Polarizability: 40.31×10-24cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.139 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1[C@H](CO)CCC1)[C@@H](NC(=O)[C@H](CCCCC)CC(=O)NO)C(C)C
(2)InChI: InChI=1/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
(3)InChIKey: XJLATMLVMSFZBN-VYDXJSESBE
(4)Std. InChI: InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
(5)Std. InChIKey: XJLATMLVMSFZBN-VYDXJSESSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 250mg/kg (250mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1629, 1985.
mouse LD unreported > 400mg/kg (400mg/kg)   European Patent Application. Vol. #167936,
mouse LDLo intravenous 400mg/kg (400mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 102, 1967.

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