Scillaren A supplier | CasNO.124-99-2

Name
scillaren A
EINECS
CAS No. 124-99-2
Density 1.44g/cm³
Solubility
Melting Point 184-186°; mp 208-211°; mp 230-240°; mp 270°
Formula C36H52 O13
Boiling Point 889.8°Cat760mmHg
Molecular Weight 692.801
Flash Point 276.1°C
Transport Information
Appearance
Safety Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Bufa-4,20,22-trienolide,3b-[(6-deoxy-4-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-14-hydroxy-(8CI); Scillaren A (6CI,7CI); NSC 7525; Transvaalin; a-L-Mannopyranoside, scillarenin-36-deoxy-4-O-b-D-glucopyranosyl-
PSA 208.74000
LogP 0.83800

Scillaren A Chemical Properties

Product Name: Scillaren A
CAS Registry Number: 124-99-2
Synonyms: 14-beta-Hydroxy-3-beta-scillobiosidobufa-4,20,22-trienolide ; 3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid ; 3-beta-Scillobiosido-14-beta-hydroxy-delta-4,20,22-bufatrienolid [German] ; 4-18-00-01659 (Beilstein Handbook Reference) ; BRN 0076216 ; EINECS 204-721-3 ; Glucoproscillaridin A ; Mannopyranoside, scillarenin-3 6-deoxy-4-O-beta-D-glucopyranosyl-, alpha-L- ; NSC 7525 ; Scillaglykosid A ; Scillaglykosid A [German] ; Scillaren + rhamnose + glucose ; Scillaren + rhamnose + glucose [German] ; Scillaren A ; Transvaalin ; 3beta-((6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-bufa-4,20,22-trienolide ; Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-
IUPAC Name: 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Weight: 692.79028 [g/mol]
Molecular Formula: C₃₆H₅₂O₁₃
XLogP3-AA: 0.3
H-Bond Donor: 7
H-Bond Acceptor: 13
Surface Tension: 73.5 dyne/cm
Density: 1.44 g/cm³
Flash Point: 276.1 °C
Enthalpy of Vaporization: 146.89 kJ/mol
Boiling Point: 889.8 °C at 760 mmHg
Following is the molecular structure of Scillaren A (CAS NO.124-99-2) is:

Scillaren A Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	167ug/kg (0.167mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 111, Pg. 365, 1954.
cat	LDLo	oral	5200ug/kg (5.2mg/kg)		Farmacognosia. Vol. 13, Pg. 375, 1953.
cat	LDLo	unreported	146ug/kg (0.146mg/kg)		"Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963Vol. -, Pg. 72, 1963.
guinea pig	LDLo	intravenous	353ug/kg (0.353mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 252, Pg. 314, 1966.
rat	LD50	intravenous	15500ug/kg (15.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 848, 1961.

Scillaren A Safety Profile

Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.

Scillaren A Specification

Descriptors computed from structure, you can know some information about Scillaren A (CAS NO.124-99-2) :
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
Isomeric SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
InChI: InChI=1S/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17?,20-,21+,22-,23+,24?,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,36-/m0/s1
InChIKey: SANIPSLLLIEJOB-NCQVURFFSA-N

Product Name

scillaren A

Scillaren A Chemical Properties

Scillaren A Toxicity Data With Reference

Scillaren A Safety Profile

Scillaren A Specification

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