CAS No.23360-92-1,LEUROSINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23360-92-1
Name:	LEUROSINE
Article Data:	3

Formula:	C₄₆H₅₆N₄O₉
Molecular Weight:	808.972
Synonyms:	Leurosine(6CI,7CI,8CI);2H-3,13-Methanooxireno[9,10]azacycloundecino[5,4-b]indole, vincaleukoblastinederiv.;NSC 528004;Vinleurosine;
Density:	1.39 g/cm³
Melting Point:	202-205℃
PSA:	146.40000
LogP:	4.29570

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Specification

The Vincaleukoblastine,4'-deoxy-3',4'-epoxy-, (3'alpha,4'alpha)-, with the CAS registry number 23360-92-1, is also known as NSC90636. This chemical's molecular formula is C₄₆H₅₆N₄O₉ and molecular weight is 808.95824. Its systematic name is called (2alpha,2'beta,3alpha,3'beta,4alpha,5beta,19beta)-O~3~',3'-cyclovincaleukoblastine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Vincaleukoblastine,4'-deoxy-3',4'-epoxy-, (3'alpha,4'alpha)-: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 74.3; (6)ACD/BCF (pH 7.4): 6473.36; (7)ACD/KOC (pH 5.5): 159.11; (8)ACD/KOC (pH 7.4): 13863.26; (9)#H bond acceptors: 13; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.677; (13)Molar Refractivity: 218.88 cm³; (14)Molar Volume: 580.5 cm³; (15)Surface Tension: 70.8 dyne/cm; (16)Density: 1.39 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]2[C@@]%10(\C=C/CN9CC[C@@]3(c1cc(c(OC)cc1N(C)[C@H]3[C@@]2(O)C(=O)OC)[C@]7(C(=O)OC)c5c(c4ccccc4n5)CCN8C[C@@]6(O[C@@H]6[C@H](C7)C8)CC)[C@@H]9%10)CC)C
(2)InChI: InChI=1/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+/m1/s1
(3)InChIKey: LPGWZGMPDKDHEP-HLTPFJCJBV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intraperitoneal	12mg/kg (12mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Eksperimental'naya Onkologiya. Experimental Oncology. Vol. 9(5), Pg. 76, 1987.
mouse	LD50	intraperitoneal	80mg/kg (80mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Eksperimental'naya Onkologiya. Experimental Oncology. Vol. 9(5), Pg. 76, 1987.
mouse	LD50	intravenous	105mg/kg (105mg/kg)		Pharmaceutical Chemistry Journal Vol. 18, Pg. 667, 1984.
rat	LD50	intraperitoneal	15200ug/kg (15.2mg/kg)		Pharmaceutical Chemistry Journal Vol. 18, Pg. 667, 1984.