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642-15-9

Basic Information
CAS No.: 642-15-9
Name: ANTIMYCIN A1
Molecular Structure:
Molecular Structure of 642-15-9 (ANTIMYCIN A1)
Formula: C28H40 N2 O9
Molecular Weight: 548.62
Synonyms: AntimycinA1 (6CI,7CI); Butanoic acid, 2(or 3)-methyl-,3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylester, [2R-(2R*,3S*,6S*,7R*,8R*)]-; 1,5-Dioxonane, butanoic acid deriv.
Density: 1.22g/cm3
Melting Point: 149.5℃
Boiling Point: 777.8°C at 760 mmHg
Flash Point: 424.2°C
Risk Codes: R23/24/25
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
PSA: 157.33000
LogP: 4.58020
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Chemistry

IUPAC Name: [3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Synonyms of Dimidin (CAS NO.642-15-9) : Antimycin A1 ; 3-(3-Formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate ; Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester ; Isovaleric acid, 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide
InChI:InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)
CAS NO:642-15-9
Molecular Formula:C28H40N2O9
Molecular Weight :548.6252
Molecular Structure :
EINECS: 211-380-4
Index of Refraction: 1.544
Surface Tension: 52.5 dyne/cm
Density: 1.22 g/cm3
Flash Point: 412.1 °C
Enthalpy of Vaporization: 114.29 kJ/mol
Boiling Point: 757.9 °C at 760 mmHg
Vapour Pressure: 8.94E-24 mmHg at 25°C 
Storage temp:−20°C

Uses

 Dimidin (CAS NO.642-15-9) is used as succinate oxidase inhibitors,blocking agents for electron transportation in biological pigment system, and cellular respiration inhibitors, and has anti-virus and anti-fungal effect.

Production

Obtain complex coarse-grained from streptomyces culture broth by alcohol extraction and concentration. Derived pure Dimidin (CAS NO.642-15-9) in methanol: water: carbon tetrachloride: hexane, by the countercurrent distribution separation  .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1gm/kg (1000mg/kg)   Journal of Drug Research. Vol. 7(2), Pg. 1, 1975.
mouse LD50 intraperitoneal 7600ug/kg (7.6mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 144, 1967.
mouse LD50 intravenous 900ug/kg (0.9mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 144, 1967.
mouse LD50 subcutaneous 25mg/kg (25mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 144, 1967.
rat LD50 oral 1469mg/kg (1469mg/kg)   Journal of Drug Research. Vol. 7(2), Pg. 1, 1975.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion and intramuscular routes. When Dimidin (CAS NO.642-15-9) is heated to decomposition, it emits toxic fumes of NOx. See also ESTERS.

Hazard Codes ToxicT
Risk Statements 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements 36/37/39-45
S36/37/39: When Dimidin (CAS NO.642-15-9) is used,wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR 3172
RTECS NY1503500
HazardClass 6.1(a)
PackingGroup II