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Actinomycin V (8CI,9CI)

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Name

Actinomycin V (8CI,9CI)

EINECS 242-636-3
CAS No. 18865-48-0 Density 1.44 g/cm3
PSA 377.05000 LogP 1.55260
Solubility N/A Melting Point 250°C
Formula C62H84N12O17 Boiling Point 1411.4 °C at 760 mmHg
Molecular Weight 1269.40 Flash Point 807.4 °C
Transport Information UN 2811 Appearance N/A
Safety 22-36/37/39-45 Risk Codes 26/27/28-63
Molecular Structure Molecular Structure of 18865-48-0 (ACTINOMYCIN V) Hazard Symbols VeryT+
Synonyms

ActinomycinD, 3A-(4-oxo-L-proline)-;Actinomycin X2;

 

Actinomycin V (8CI,9CI) Specification

The Actinomycin V (8CI,9CI), with CAS registry number 18865-48-0, belongs to the following product category: Antibiotics. It has the systematic name of 2-amino-4,6-dimethyl-3-oxo-N1-[2,5,9-trimethyl-1,4,7,11,14,17-hexaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N9-[2,5,9-trimethyl-1,4,7,11, 14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide. This chemical should be stored at the temperature of 2-8°C. Its classification codes are Drug / Therapeutic Agent, Mutation data and Natural Product. And the chemical formula of this chemical is C62H84N12O17.

Physical properties of Actinomycin V (8CI,9CI): (1)ACD/LogP: -4.86; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.86; (4)ACD/LogD (pH 7.4): -4.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 29; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 314.67 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 324.51 cm3; (15)Molar Volume: 877.8 cm3; (16)Polarizability: 128.64×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 807.4 °C; (20)Enthalpy of Vaporization: 216.11 kJ/mol; (21)Boiling Point: 1411.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Actinomycin V (8CI,9CI) irritates to eyes, respiratory system and skin. And it has possible risk of harm to the unborn child. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccc(C)c2oc3c(nc12)c(c(c(c3C)=O)N)C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CC(C2)=O)=O)C(C)C)=O)=O)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C
(2)InChI: InChI=1/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300ug/kg (0.3mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1625, 1985.
mouse LD50 intravenous 1mg/kg (1mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(2), Pg. 48, 1980.
mouse LD50 subcutaneous 300ug/kg (0.3mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 427, 1977.

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