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11078-23-2

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Basic Information
CAS No.: 11078-23-2
Name: Copiamycin
Molecular Structure:
Molecular Structure of 11078-23-2 (Copiamycin)
Formula: C54H95 N3 O17
Molecular Weight: 1124.53
Synonyms: Copiamycin(8CI); Propanedioic acid,mono[5,7,9,19,21,23,27,29,30,31-decahydroxy-13-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecenyl]-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]ester (9CI); 14,33-Dioxabicyclo[27.3.1]tritriacontane, copiamycin deriv.;Copiamycin A; Stereoisomer of5,7,9,19,21,23,27,29,30,31-decahydroxy-13-[11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecenyl]-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-ylhydrogen propanedioate
Density: 1.27g/cm3
Melting Point: 144°C (rough estimate)
Boiling Point: 1133°C at 760 mmHg
Flash Point: 639°C
Safety: Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
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    Copiamycin

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Chemistry

IUPAC Name: 3-[[(13E,19E)-17-[(E)-1,3-Dimethyl-11-[(N-methylcarbamimidoyl)amino]undec-7-enyl]-1,3,7,9,11,21,23,25,31,32-decahydroxy-4,8,12,18,22-pentamethyl-15-oxo-16,33-dioxabicyclo[27.3.1]tritriaconta-13,19-dien-27-yl]oxy]-3-oxo-propanoic acid
Synonyms of Copiamycin (CAS NO.11078-23-2) : 3-({(10E,16E)-5,7,9,19,21,23,27,29,30,31-Decahydroxy-8,12,18,22,26-pentamethyl-13-[(8E)-4-methyl-12-(N'-methylcarbamimidamido)dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl}oxy)-3-oxopropanoic acid ; Propanedioic acid, mono[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-13-[(7E)-11-[[imino(methylamino)methyl]amino]-1,3-dimethyl-7-undecen-1-yl]-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl] ester
InChI:InChI=1/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18+
CAS NO:11078-23-2
Molecular Formula:C54H95N3O17
Molecular Weight :1058.342
Molecular Structure :
Index of Refraction: 1.565
Surface Tension: 47.2 dyne/cm
Density: 1.27 g/cm3
Flash Point: 626.9 °C
Enthalpy of Vaporization: 185.05 kJ/mol
Boiling Point: 1112.9 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 7, Pg. 53, 1981.
mouse LD50 oral 1030mg/kg (1030mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 7, Pg. 53, 1981.
mouse LD50 subcutaneous 1050mg/kg (1050mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 7, Pg. 53, 1981.

Safety Profile

Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When Copiamycin (CAS NO.11078-23-2)  is heated to decomposition it emits toxic fumes of NOx.