CAS No.2068-78-2,Vincristine sulfate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2068-78-2
Name:	Vincristine sulfate
Article Data:	3
Cas Database

Formula:	C₄₆H₅₆N₄O₁₀^.H₂SO₄
Molecular Weight:	923.051
Synonyms:	(2'β)-22-Oxovincaleukoblastine sulfate (1:1);22-oxovincaleukoblastine sulfate;22-Oxovincaleukoblastine Sulfate (1:1) (salt);Alkaloid extracted from Vinca rosea Linn;Kyocristine;Vincrisul;
EINECS:	218-190-0
Density:	N/A
Melting Point:	300 °C
Boiling Point:	273-281 °C
Flash Point:	N/A
Solubility:	≥1 g/100 mL at 24 °C in water
Appearance:	Crystalline solid
Hazard Symbols:	T
Risk Codes:	61-36/37/38-63-23/24/25
Safety:	22-24/25-53-45-26-36/37/39
Transport Information:	UN 2811 6.1/PG 2
PSA:	254.15000
LogP:	4.52220

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 372.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 26 , 1981,p. 365.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 26 , 1981,p. 365.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Specification

The Leurocristine sulfate (1:1), with the CAS registry number 2068-78-2 and EINECS registry number 218-190-0, has the systemaic name of (2α,2'β,3α,4α,5β,19β)-22-oxovincaleukoblastine sulfate (1:1). And the molecular formula of this chemical is C₄₆H₅₆N₄O₁₀^.H₂SO₄. It is a kind of crystalline solid, and usually used as antineoplastic and monoamine oxidase inhibitor. What's more, it is sensitive to hydrolysis, oxidation and heat, and incompatible with strong oxidizing agents. In addition, it should be stored at 2-8°C.

The physical properties of Leurocristine sulfate (1:1) are as following: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 14; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 138.31 Å².

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also toxic by inhalation, in contact with skin and if swallowed. What's more, it may cause harm to the unborn child. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes; Avoid exposure - obtain special instruction before use; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O=C(OC)[C@]4(c2c(c1ccccc1n2)CCN3C[C@](O)(CC)C[C@@H](C3)C4)c5c(OC)cc6c(c5)[C@@]89[C@@H](N6C=O)[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@@]7(/C=C\CN([C@@H]78)CC9)CC
(2)InChI: InChI=1/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
(3)InChIKey: AQTQHPDCURKLKT-JKDPCDLQBG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LDLo	intraperitoneal	4mg/kg (4mg/kg)		Cancer Chemotherapy and Pharmacology. Vol. 20, Pg. 21, 1987.
monkey	LD	oral	> 4mg/kg (4mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 157, Pg. 299, 1965.
monkey	LDLo	intravenous	4mg/kg (4mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 157, Pg. 299, 1965.
mouse	LD50	intraperitoneal	3mg/kg (3mg/kg)		Drugs in Japan Vol. 6, Pg. 648, 1982.
mouse	LD50	intravenous	1700ug/kg (1.7mg/kg)		Cancer Research. Vol. 39, Pg. 3575, 1979.
rat	LD50	intraperitoneal	1900ug/kg (1.9mg/kg)		Drugs in Japan Vol. 6, Pg. 648, 1982.
rat	LD50	intravenous	1010ug/kg (1.01mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED BLOOD: NORMOCYTIC ANEMIA	Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 1549, 1983.