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CAS No.: | 2068-78-2 |
---|---|
Name: | Vincristine sulfate |
Article Data: | 3 |
Molecular Structure: | |
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 |
Melting Point: | 300 °C |
Boiling Point: | 273-281 °C |
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 |
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. |