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Vinblastine sulfate(CAS No. 143-67-9)

Vinblastine sulfate C46H58N4O9 (cas 143-67-9) Molecular Structure

143-67-9 Structure

Identification and Related Records

【Name】
Vinblastine sulfate
【CAS Registry number】
143-67-9
【Synonyms】
Alkaban-AQ
Exal
VLBmonosulfate
Velban
Velbe
Velsar
Vincaleukoblastine derivative
vincaleukoblastine, (2'beta)-
(2'beta)-Vincaleukoblastine
Vincaleukoblastine sulfate (1:1) (salt)
Vinblastine 5
Rozevin sulfate
【EINECS(EC#)】
205-606-0
【Molecular Formula】
C46H58N4O9 (Products with the same molecular formula)
【Molecular Weight】
909.06
【Inchi】
InChI=1/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1
【Canonical SMILES】
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
【Isomers smiles】
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@
]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)
OC)C(=O)OC)O.OS(=O)(=O)O
【MOL File】
143-67-9.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.37 g/cm3
【Melting Point】
267℃
【Alpha】
-21.7 o (C=2, CH3OH 21 oC)
【Water】
>=1 g/100 mL at 24.5℃
【Solubilities】
H2O: 10 mg/mL
【Color/Form】
white
【Stability】
No data.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:909.0526 [g/mol]
Molecular Formula:C46H60N4O13S
H-Bond Donor:5
H-Bond Acceptor:16
Rotatable Bond Count:10
Exact Mass:908.387759
MonoIsotopic Mass:908.387759
Topological Polar Surface Area:237
Heavy Atom Count:64
Formal Charge:0
Complexity:1780
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R22;R36/37/38;R41;R61
【Safety Statements 】
S26;S37/39;S45;S53
【HazardClass】
6.1(a)
【Safety】

Poison by ingestion, intraperitoneal, and intravenous routes. An experimental teratogen. Human systemic effects by intravenous route: blood leukopenia and hair changes. Experimental reproductive effects. Questionable carcinogen. Human mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also?vincaleukoblastine and?sulfates.
Hazard Codes:?HarmfulXn,ToxicT
Risk Statements: 22-37/38-41-61-36/37/38-63-23/24/25
R22:Harmful if swallowed.?
R37/38:Irritating to respiratory system and skin.?
R41:Risk of serious damage to the eyes.?
R61:May cause harm to the unborn child.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R63:Possible risk of harm to the unborn child.?
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/39-53-45-37/39-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S53:Avoid exposure - obtain special instructions before use.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S37/39:Wear suitable gloves and eye/face protection.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1544
WGK Germany: 3
RTECS: YY8400000
F: 8-10
HazardClass: 6.1(a)
PackingGroup: II

【PackingGroup 】
II
【Transport】
OTH
【Specification】

?Vinblastine sulfate , with CAS number of 143-67-9, can be called Vincaleukoblastine derivative ; vincaleukoblastine, (2'beta)- ; Vincaleukoblastine derivative ; Vincaleukoblastine sulfate (1:1) (salt) ; Vinblastine 5 ; Rozevin sulfate .?It is an antineoplastic agents for the treatment of Hodgkin's disease, choriocarcinoma and lymphosarcoma, it also has some effect on acute leukemia, breast cancer.

【Report】

IARC Cancer Review: Group 3 IMEMDT?? IARC Monographs on the Evaluation of Carcinogenic Risk of?chemicals to Man . 7 ,1987,p. 371.(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. 349.(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. 349.(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) . EPA Genetic Toxicology Program.

Use and Manufacturing

【Usage】

An antineoplastic

Biomedical Effects and Toxicity

【Biological Activity】
Anticancer agent; microtubule disrupter. Induces apoptosis in cultured hepatocytes and human lymphoma cells.
【Pharmacological Action】
- Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
- Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.

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