7-AMINOACTINOMYCIN D

Molecular Structure of 7-Aminoactinomycin D (CAS No.7240-37-1):

Molecular Formula: C₆₂H₈₇N₁₃O₁₆ 
Molecular Weight: 1270.4317
IUPAC Name: 2,7-Diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide   
CAS No: 7240-37-1
H bond acceptors: 29
H bond donors: 8
Freely Rotating Bonds: 10
Polar Surface Area: 300.84 Å²
Index of Refraction: 1.664
Molar Refractivity: 325.57 cm³
Molar Volume: 877.3 cm³
Surface Tension: 55.3 dyne/cm
Density: 1.44 g/cm³
Flash Point: 801 °C
Enthalpy of Vaporization: 214.17 kJ/mol
Boiling Point: 1400.8 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C₆₂H₈₇N₁₃O₁₆ /c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)
InChIKey: YXHLJMWYDTXDHS-UHFFFAOYAE
Std. InChI: InChI=1S/C₆₂H₈₇N₁₃O₁₆ /c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)
Std. InChIKey: YXHLJMWYDTXDHS-UHFFFAOYSA-N
Synonyms of 7-Aminoactinomycin D (CAS No.7240-37-1): 7-aminoactinomycin D ; 7-amino-AMD ; Actinomycin D, 7-Amino- 

Hazard Codes:T+,T
Risk Statements:26/27/28-36/37/38
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:26-28-36/37-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR:UN 3462 6.1/PG 2
WGK Germany:3
RTECS:AU1579000
F:8-10-21
HazardClass:6.1(a)
PackingGroup:II