Bendazac L-lysine supplier | CasNO.81919-14-4

Name
Bendazac L-lysine
EINECS
CAS No. 81919-14-4
Density
Solubility
Melting Point 178-181oC
Formula C₂₂H₂₈N₄O₅
Boiling Point 698.4 °C at 760 mmHg
Molecular Weight 428.48
Flash Point 376.2 °C
Transport Information
Appearance white
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BendazacLysineEyeDrops;Bendazac Lysine;Tropiserton Hydrochloride;Bendaline;L-Lysine,compounds,mono[[[1-(phenylmethyl)- 1H-indazol-3-yl]oxy]acetate];
PSA 153.69000
LogP 3.47590

Bendazac L-lysine Specification

The Bendazac L-lysine, with the CAS registry number 81919-14-4, is also known as L-Lysine-(1-benzyl-1H-indazol-3-yloxy)acetic acid. It belongs to the product category of Pharmaceutical Intermediate. This chemical's molecular formula is C₂₂H₂₈N₄O₅ and molecular weight is 428.48. What's more, its systematic name is called 2-(1-Benzylindazol-3-yl)oxyacetic acid; (2S)-2,6-diaminohexanoic acid.

Physical properties about Bendazac L-lysine are: (1)ACD/LogP: 2.023; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 153.69 Å²; (7)Flash Point: 376.2 °C; (8)Enthalpy of Vaporization: 107.39 kJ/mol; (9)Boiling Point: 698.4 °C at 760 mmHg; (10)Vapour Pressure: 1.78E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NCCCC[C@H](N)C(O)=O.OC(=O)COc3nn(Cc1ccccc1)c2ccccc23
(2) InChI: InChI=1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
(3) InChIKey: OCOCFNMFLNFNIA-ZSCHJXSPSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1600mg/kg (1600mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA	Medicamentos de Actualidad. Vol. 19, Pg. 649, 1983.
rat	LD50	oral	3100mg/kg (3100mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA	Medicamentos de Actualidad. Vol. 19, Pg. 649, 1983.

Product Name

Bendazac L-lysine

Bendazac L-lysine Specification

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