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64925-80-0

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Basic Information
CAS No.: 64925-80-0
Name: PHOMOPSIN A
Molecular Structure:
Molecular Structure of 64925-80-0 (PHOMOPSIN A)
Formula: C36H45 Cl N6 O12
Molecular Weight: 789.23
Synonyms: PhomopsinA (9CI); 2-Oxa-5,8-diazabicyclo[10.3.1]hexadecane, cyclic peptide deriv.;3-Chloro-erythro-b,5-dihydroxy-N-methyl-L-tyrosyl-3,4-didehydro-L-valyl-3-hydroxy-L-isoleucyl-3,4-didehydro-L-prolyl-(E)-2,3-didehydroisoleucyl-(E)-2,3-didehydroasparticacid cyclic (15®3)-ether;NSC 381839
Density: 1.48g/cm3
Boiling Point: 1188.2°C at 760 mmHg
Flash Point: 672.4°C
Hazard Symbols:
Risk Codes: 20/21/22-40
Safety: Poison by an unreported route. An experimental teratogen. Experimental reproductive effects. Human mutation data reported.
PSA: 273.03000
LogP: 2.27850
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Chemistry

Empirical Formula of Phomopsin A (CAS NO.64925-80-0):  C36H45ClN6O12
Molecular Weight: 789.2285 g/mol
Index of Refraction: 1.64
Density: 1.45 g/cm3
Flash Point: 646.1 °C
Enthalpy of Vaporization: 176.87 kJ/mol
Boiling Point: 1144.6 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C 
Structure of Phomopsin A (CAS NO.64925-80-0):

IUPAC Name: (E)-2-[[(E)-2-[[(2S)-1-[(3R,4S,7S,10S,11S)-14-Chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid

Toxicity Data With Reference

1.    

dni-hmn:mmr 1 µmol/L

     JTEHD6    Journal of Toxicology and Environmental Health. 16 (1985),13.
2.    

ipr-rat TDLo:400 µg/kg (6D preg):TER

     AJEBAK    Australian Journal of Experimental Biology and Medical Science. 61 (1983),105.
3.    

unr-rat LD50:5 mg/kg

     AJEBAK    Australian Journal of Experimental Biology and Medical Science. 61 (1983),105.

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-40 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 36/37/39 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

Phomopsin A ,its cas register number is 64925-80-0.It also can be called Phomopsin .