CAS No.11006-33-0,Phleomycin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	11006-33-0
Name:	Phleomycin

Formula:	C₅₁H₇₅N₁₇O₂₁S₂
Molecular Weight:	1326.37
Synonyms:	PHLEOMYCIN; PHLEOMYCIN (STREPTOMYCES VERTICILLUS); phleomycincomplex; ZEOCIN(TM); phleomycin from streptomyces*verticillus;
EINECS:	634-572-3
Density:	1.83 g/cm³
Boiling Point:	1718.8 °C at 760 mmHg
Flash Point:	993.3 °C
Hazard Symbols:	Xn; Xi
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	664.89000
LogP:	-2.68810

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Specification

The CAS registry number of Phleomycin is 11006-33-0. The systematic name is 2'-{5-acetyl-15-(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-13-[{[(2R,3S,4S,5S,6S)-3-{[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)-3-methyltetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-5-yl)methyl]-9-hydroxy-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-4',5 '-dihydro-2,4'-bi-1,3-thiazole-4-carboxamide. In addition, the molecular formula is C₅₁H₇₅N₁₇O₂₁S₂ and the molecular weight is 1326.37. What's more, it belongs to the classes of Antibiotics; Antibiotics by Application; Antibiotics N-S Antibiotics; Chemical Structure Class; Genetic Marker Selection Antibiotics; Glycopeptides Antibiotics; Interferes with DNA SynthesisSpectrum of Activity; Mechanism of Action. And the storage temperature of this chemical is 2-8°C.

Physical properties about this chemical are: (1)ACD/LogP: -2.73; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.46; (4)ACD/LogD (pH 7.4): -2.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 38; (10)#H bond donors: 26; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 422.42 Å²; (13)Index of Refraction: 1.777; (14)Molar Refractivity: 303.19 cm³; (15)Molar Volume: 724.4 cm³; (16)Polarizability: 120.19 ×10^-24cm³; (17)Surface Tension: 88 dyne/cm; (18)Density: 1.83 g/cm³; (19)Flash Point: 993.3 °C; (20)Enthalpy of Vaporization: 286.59 kJ/mol; (21)Boiling Point: 1718.8 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)C)C(=O)NCCC/3=N/C(c2scc(n2)C(=O)N)CS\3)C)C(O[C@@H]5O[C@@H](CO)[C@@H](O)[C@H](O)[C@@]5(O[C@@H]4OC(CO)[C@H](O)[C@](O)(C(=O)N)[C@H]4O)C)c6 cncn6)C)CC(=O)N
(2)InChI: InChI=1/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1
(3)InChIKey: QRBLKGHRWFGINE-UGWAGOLRBV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	2500ug/kg (2.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
guinea pig	LDLo	intravenous	13mg/kg (13mg/kg)		Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
mouse	LD50	intraperitoneal	13mg/kg (13mg/kg)		Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
mouse	LD50	intravenous	21mg/kg (21mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
mouse	LD50	oral	371mg/kg (371mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
mouse	LD50	subcutaneous	25mg/kg (25mg/kg)		Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.
rat	LD50	intravenous	4mg/kg (4mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.
rat	LD50	oral	649mg/kg (649mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Toxicology and Applied Pharmacology. Vol. 14, Pg. 590, 1969.