CAS No.22373-78-0,Monensin sodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22373-78-0
Name:	Monensin sodium salt
Article Data:	6

Formula:	C₃₆H₆₁NaO₁₁
Molecular Weight:	692.864
Synonyms:	1,6-Dioxaspiro[4.5]decane-7-butyricacid,2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-b-methoxy-a,g,2,8-tetramethyl-, monosodium salt (8CI);Monensin,monosodium salt (9CI);CRC Rumensin;Coban;Coban 45;Monensin A sodium salt;Monensin sodium;NSC 343257;Rumensin;Sodium monensin;Monensin, sodium salt(1:1);
EINECS:	244-941-7
Melting Point:	267-269 °C
Boiling Point:	766.3 °C at 760 mmHg
Flash Point:	229.2 °C
Appearance:	light cream amorphous powder
Hazard Symbols:	T, T+
Risk Codes:	25-26/27/28
Safety:	36/37/39-45-22
Transport Information:	UN 3462 6.1/PG 2
PSA:	165.43000
LogP:	2.87390

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Specification

The IUPAC name of Monensin sodium is (2S,3R,4S)-4-[(3S,5R,7S,8R,9S)-3-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid. With the CAS registry number 22373-78-0, it is also named as Monensin sodium salt. The product's category is Organics, and the other registry number is 22136-43-2. Besides, it is light cream amorphous powder, which should be stored at 2-8 °C. In addition, its molecular formula is C₃₆H₆₁NaO₁₁ and molecular weight is 692.86.

The other characteristics of this product can be summarized as: (1)EINECS: 244-941-7; (2)ACD/LogP: 3.72; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 2.45; (5)ACD/LogD (pH 7.4): 0.66; (6)ACD/BCF (pH 5.5): 21.09; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 134.37; (9)ACD/KOC (pH 7.4): 2.23; (10)#H bond acceptors: 11; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 13; (13)Polar Surface Area: 120.37 Å²; (14)Flash Point: 229.2 °C; (15)Melting Point: 267-269 °C; (16)alpha: 57.3 °(c=4.0, in MeOH); (17)Enthalpy of Vaporization: 127.25 kJ/mol; (18)Boiling Point: 766.3 °C at 760 mmHg; (19)Vapour Pressure: 4.13E-27 mmHg at 25 °C.

Uses of Monensin sodium: this chemical is an antiprotozoal agent produced by Streptomyces cinnamonensis. Similarly, it is a sodium and proton selective ionophore and is widely used as such in biochemical studies.

When you are using this chemical, please be cautious about it as the following: it is very Toxic by inhalation, in contact with skin and if swallowed. Please do not breathe dust. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]C(=O)C(C)[C@H](OC)[C@H](C)[C@H]5O[C@]1(O[C@@](C)(CC1)[C@@H]2O[C@@](CC)(CC2)[C@@H]4O[C@@H]([C@H]3O[C@@](O)(CO)[C@@H](C[C@@H]3C)C)C[C@@H]4C)C[C@H](O)[C@H]5C
(2)InChI: InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
(3)InChIKey: XOIQMTLWECTKJL-DNJOVKTJBE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cattle	LD50	oral	26mg/kg (26mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
chicken	LD50	oral	145mg/kg (145mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	MBI, Mediko Biologicheskaya Informatsiya. Medical-Biological Information. Vol. (3), Pg. 3, 1984.
dog	LD50	oral	> 10mg/kg (10mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
horse/donkey	LD50	oral	2mg/kg (2mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
monkey	LD50	oral	> 160mg/kg (160mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
mouse	LD50	oral	44mg/kg (44mg/kg)		Journal of Antibiotics. Vol. 36, Pg. 1195, 1983.
pig	LD50	oral	17mg/kg (17mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
rabbit	LD50	oral	42mg/kg (42mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.
rat	LD50	oral	29mg/kg (29mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Animal Science. Vol. 58, Pg. 1512, 1984.