β-Escin
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β-Escin
structure -
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CAS No:
11072-93-8
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Chemical Name:
β-Escin
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Synonyms:
β-Escin;β-Aescin;Flogencyl
- Categories:
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CAS No:
Characteristics
388
1.02620
white powder
1.1200 (rough estimate)
222-223 °C
764.81°C (rough estimate)
1.6500 (estimate)
LD50 in mice, rats, guinea pigs (mg/kg): 1.4, 2.0, 7.2 i.v.; 134, 400, 188 orally (Hampel)
D27 -23.7° (c = 5 in methanol)
Safety Information
NONH for all modes of transport
2
22
22-24/25
KF6296000
Xn
P280-P301 + P312 + P330
H302-H317
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:1131.3
XLogP3:0.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:16
Exact Mass:1130.55090361
Monoisotopic Mass:1130.55090361
Topological Polar Surface Area:388
Heavy Atom Count:79
Complexity:2300
Defined Atom Stereocenter Count:27
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Not yet clear
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