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Name |
Actinonin |
EINECS | N/A |
CAS No. | 13434-13-4 | Density | 1.14 g/cm3 |
PSA | 118.97000 | LogP | 1.92220 |
Solubility | N/A | Melting Point |
137-139°C |
Formula | C19H35N3O5 | Boiling Point | N/A |
Molecular Weight | 385.504 | Flash Point | N/A |
Transport Information | N/A | Appearance | Off-white solid |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 8 |
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. |