CAS No.55658-47-4,BLEOCIN(TM), STREPTOMYCES VERTICILLUS Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55658-47-4
Name:	BLEOCIN(TM), STREPTOMYCES VERTICILLUS

Formula:	C₅₇H₈₉N₁₉O₂₁S₂^.x(HCl)
Molecular Weight:	1477.02000
Synonyms:	Bleomycinamide,N1-[3-[(4-aminobutyl)amino]propyl]-, hydrochloride (9CI);N1-[3-[(4-Aminobutyl)amino]propyl]bleomycinamide hydrochloride;
Density:	1.56g/cm3
PSA:	721.60000
LogP:	-0.63200

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Specification

The Bleomycin A5 hydrochloride, with the CAS registry number 55658-47-4, is also known as N1-[3-[(4-Aminobutyl)amino]propyl]bleomycinamide hydrochloride. This chemical's molecular formula is C₅₇H₈₉N₁₉O₂₁S₂^.x(HCl). Its classification code is Drug / Therapeutic Agent.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C57H89N19O21S2.ClH/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58;/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76);1H
(2)InChIKey: InChIKey=NRVKJXFKQWUKCB-UHFFFAOYSA-N
(3)Smiles: c1(nc(C(=O)N[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)OC(=O)N)O)CO)c2[nH]cnc2)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc2scc(n2)c2scc(n2)C(NCCCNCCCCN)=O)=O)[C@@H](C)O)=O)C)O)C)=O)c(C)c(n1)N)[C@@H](NC[C@@H](N)C(=O)N)CC(=O)N.Cl

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	66mg/kg (66mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.
mouse	LD50	intravenous	50mg/kg (50mg/kg)	Antibiotiki. Vol. 24, Pg. 175, 1979.
mouse	LD50	oral	800mg/kg (800mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.
mouse	LD50	subcutaneous	67mg/kg (67mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.
rat	LD50	intramuscular	102mg/kg (102mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.
rat	LD50	intraperitoneal	117mg/kg (117mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.
rat	LD50	intravenous	75mg/kg (75mg/kg)	Antibiotiki. Vol. 24, Pg. 363, 1979.