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43229-80-7

Basic Information
CAS No.: 43229-80-7
Name: Formoterol fumarate
Molecular Structure:
Molecular Structure of 43229-80-7 (Formoterol fumarate)
Formula: C42H52N4O12
Molecular Weight: 804.88
Synonyms: Aformoterol;CGP 25827A;Foradil Certihaler;Foradil Aerolizer;
EINECS: 1308068-626-2
Density:
Melting Point: 138-140oC
Boiling Point: 1089.9 °C at 760 mmHg
Flash Point: 613 °C
Solubility:
Appearance: white crystalline powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 165.42000
LogP: 3.03490
Raw Materials
122-84-9
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  • Formoterol fumarate

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    43229-80-7

    Formoterol fumarate

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    43229-80-7

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  • Formoterol fumarate CAS No.43229-80-7

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    43229-80-7

    Formoterol fumarate CAS No.43229-80-7

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    Formoterol fumarate

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  • Formaterol Fumarate

  • Casno:

    43229-80-7

    Formaterol Fumarate

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Specification

The CAS register number of Formoterol fumarate is 43229-80-7. It also can be called as N-[2-Hydroxy-5-[[(1RS)-1-hydroxy-2-[[(1RS)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide (E)-2-butenedioate and the IUPAC name about this chemical is (E)-but-2-enedioic acid; N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide. The molecular formula about this chemical is 2(C19H24N2O4).C4H4O4;C42H52N4O12 and the molecular weight is 804.88. It belongs to the following product categories, such as APIs; Active Pharmaceutical Ingredients; Aromatics; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor and so on. This chemical is a selective 2-adrenergic receptor agonist and it can be used as an antiasthmatic. This chemical will not decompose under normal circumstances and there is no dngerous reaction. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place.

Physical properties about Formoterol fumarate are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.61; (5)#H bond acceptors: 16; (6)#Freely Rotating Bonds: 22; (7)Polar Surface Area: 256.24Å2; (8)Flash Point: 613 °C; (9)Enthalpy of Vaporization: 167.6 kJ/mol; (10)Boiling Point: 1089.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O.CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O.C(=CC(=O)O)C(=O)O
(2)InChI: InChI=1/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m00./s1
(3)InChIKey: OBRNDARFFFHCGE-PERKLWIXBR
(4)Std. InChI: InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m00./s1
(5)Std. InChIKey: OBRNDARFFFHCGE-PERKLWIXSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210mg/kg (210mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
mouse LD50 intravenous 71mg/kg (71mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
mouse LD50 oral 6700mg/kg (6700mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
mouse LD50 subcutaneous 640mg/kg (640mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 intraperitoneal 170mg/kg (170mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 intravenous 98mg/kg (98mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 oral 3130mg/kg (3130mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.
rat LD50 subcutaneous 1gm/kg (1000mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 811, 1983.