5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))-
Bezeichnung:5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))-
CAS-Nr52665-69-7
Englisch Name:A23187
CBNumberCB4315720
SummenformelC29H37N3O6
Molgewicht523.62
MOL-Datei52665-69-7.mol
Synonyma
4-Benzoxazolcarbonsure, 5-(Methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-, [6S-[6α(2S*,3S*),8β(R*),9β,11α]]-
5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))-
5-(Methylamino)-2-((3,9,11-trime-thyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-4-benzoxazolcarbonsäure, (6S-(6 alpha(2S*,3S*), 8 beta(R*),9 beta, 11 alpha))- physikalisch-chemischer Eigenschaften
Schmelzpunkt | 187-190 °C |
alpha | D25 -56° (c = 1 in chloroform) |
Siedepunkt | 710.3±55.0 °C(Predicted) |
Dichte | 1.28±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C |
Löslichkeit | Soluble in DMSO with warming or sonication. Also soluble in ethanol or ethyl acetate |
Aggregatzustand | Solid |
pka | pKa1 6.9 in 90% DMSO |
Farbe | white to light yellow |
Merck | 13,1639 |
BRN | 1096801 |
Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 4 months. |
Kennzeichnung gefährlicher | Xi,Xn |
R-Sätze: | 36/37/38-20/21/22 |
S-Sätze: | 26-36 |
WGK Germany | 3 |
RTECS-Nr. | DM4676000 |
F | 8 |
HS Code | 29349990 |
Toxizität | LD50 i.p. in mice: 10 mg/kg (Gale) |