Bufa-4,20,22-trienolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-14-hydroxy-,(3b)

Modify Date: 2025-08-25 11:23:10

Bufa-4,20,22-trienolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-14-hydroxy-,(3b) structure	Common Name	Bufa-4,20,22-trienolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-14-hydroxy-,(3b)
	CAS Number	124-99-2	Molecular Weight	692.79000
	Density	1.44g/cm3	Boiling Point	889.8ºC at 760mmHg
	Molecular Formula	C₃₆H₅₂O₁₃	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	276.1ºC
	Symbol	GHS06	Signal Word	Danger

Name	scillaren A
Synonym	More Synonyms

Density	1.44g/cm3
Boiling Point	889.8ºC at 760mmHg
Molecular Formula	C₃₆H₅₂O₁₃
Molecular Weight	692.79000
Flash Point	276.1ºC
Exact Mass	692.34100
PSA	208.74000
LogP	0.83800
Vapour Pressure	0mmHg at 25°C
Index of Refraction	1.639
InChIKey	NXJOCELNFPGKIV-IFZJZRNXSA-N
SMILES	CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EI3325000

CHEMICAL NAME :: Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-ma nnopyranosyl) oxy)-14-hydroxy-

CAS REGISTRY NUMBER :: 124-99-2

BEILSTEIN REFERENCE NO. :: 0076216

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C36-H52-O13

MOLECULAR WEIGHT :: 692.88

WISWESSER LINE NOTATION :: L E5 B666 MUTJ A1 E1 IQ F- ET6OVJ& OO- CT6OTJ B1Q DQ EQ FO- CT6OTJ B1 DQ EQ FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15500 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,848,1961

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 5200 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FARMA8 Farmacognosia. (Madrid, Spain) V.1-27, 1942-62. Discontinued. Volume(issue)/page/year: 13,375,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 167 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 111,365,1954

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 146 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,72,1963

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 353 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 252,314,1966 *** REVIEWS *** TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,193,1963

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
RIDADR	UN 2811 6.1 / PGIII

[Densitometric determination of proscillaridin A, scillaren A and scilliroside].

Il Farmaco 35(1) , 32-46, (1980)

Name: Literature-mined compound from Fourches et al multi-species drug-induced liver injury...
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697778

Name: Literature-mined compound from Fourches et al multi-species drug-induced liver injury...
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697779

Name: Literature-mined compound from Fourches et al multi-species drug-induced liver injury...
Source: ChEMBL
Target: Hepatotoxicity
External Id: CHEMBL1697780

Total 3, Current Page 1 of 1

Transvalin

Transvaalin

EINECS 204-721-3

Scillaren

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Bufa-4,20,22-trienolide,3-[(6-deoxy-4-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-14-hydroxy-,(3b)

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Articles1

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.