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219861-53-7

Basic Information
CAS No.: 219861-53-7
Name: (R)-Citalopram Oxalate
Molecular Structure:
Molecular Structure of 219861-53-7 ((R)-Citalopram Oxalate)
Formula: C22H23FN2O5
Molecular Weight: 414.43
Synonyms: 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile ethanedioate;
Melting Point: 153-155 °C
Boiling Point: 591.2 °C at 760 mmHg
Flash Point: 311.3 °C
Appearance: White Solid
PSA: 110.86000
LogP: 2.96858
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  • (R)-Citalopram Oxalate  CAS NO.219861-53-7

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  • (R)-Citalopram Oxalate

  • Casno:

    219861-53-7

    (R)-Citalopram Oxalate

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0

    HuBei ipure is a diversified product production and operation enterprise, with API, pharma intermediates, and other fine chemicals as well as R&D and pigments development and sales as one of the large enterprises, with more than 130 acres of

    Hubei Ipure biotech Co., Ltd. is Established in 2011,which is located in Wuhan, Hubei Province where is the largest city in central China. The company is a diversified product pr

  • HuBei Ipure Biotech CO.,ltd

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    Business Type:Trading Company

    Tel:18062427325

    Address:NO 18. 81F street Future city ,Hongshan district ,WuHan city ,Hubei province ,China

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  • (R)-Citalopram Oxalate

  • Casno:

    219861-53-7

    (R)-Citalopram Oxalate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Best quality & Attractive price & Professional service; Trial & Pilot & CommercialHenan Fine Chemicals Co., LTD. is a diversified technology - oriented integrated company, which mainly concentrates on fine chemicals. Our company is committed to becom

    Henan Fine Chemicals Co., LTD. is a diversified technology - oriented integrated company, which mainly concentrates on fine chemicals. Our company is committed to becoming the worl

  • Henan Fine Chemicals Co., Ltd

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    Business Type:Trading Company

    Address:1006, Top Enterprises, No. 19 of Minhang Road, Zhengzhou City, Henan,China.

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  • (R)-Citalopram Oxalate

  • Casno:

    219861-53-7

    (R)-Citalopram Oxalate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    United Scientific Company Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. Fenghua has both the expertise and flexibility to produce a wide range of chemicals. Focusing on developing the innovat

    United Scientific Company (USC) Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. USC has both the expertise and flexibility

  • Shanghai united Scientific Co.,Ltd.

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    Business Type:Lab/Research institutions

    Tel:+86-21-53535353

    Address:28F No.900 huaihai Road Shanghai China

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  • R-Citalopram

  • Casno:

    219861-53-7

    R-Citalopram

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    The system can just identify the products information in first sheet, it is not be permitted to add or edit new sheet by userself.Our products are required in MG to Gram only. · Pharmaceutical Reference Standards· Traceable workin

    SimSon Pharma, a renowned name in pharmaceutical sector, has built high its reputation as a complete solution provider in contract research arena. We are a JAS/ANZ ISO 9001:2015 Ce

  • Simson Pharma Limited

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    Address:Near Dahisar Toll Naka

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Specification

The IUPAC name of (R)-Citalopram oxalate is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid. With the CAS registry number 219861-53-7, it is also named as 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile ethanedioate. The product's categories are heterocyclic compounds, intermediates & fine chemicals, neurochemicals, pharmaceuticals. Moreover, it is white solid, its molecular formula is C22H23FN2O5 and its molecular weight is 414.43. This chemical is used as an inhibitor of serotonin (5-HT) uptake and antidepressant.

The other characteristics of (R)-Citalopram oxalate can be summarized as: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): ; (4)ACD/LogD (pH 7.4): ; (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: 7; (10)H bond donors: 2; (11)Freely Rotating Bonds: 6; (12)Rotatable Bond Count: 6; (13)Exact Mass: 414.1591; (14)MonoIsotopic Mass: 414.1591; (15)Topological Polar Surface Area: 111; (16)Heavy Atom Count: 30; (17)Complexity: 537; (18)Flash Point: 311.3 °C; (19)Melting Point: 153-155 °C; (20)Enthalpy of Vaporization: 92.75 kJ/mol; (21)Boiling Point: 591.2 °C at 760 mmHg; (22)Vapour Pressure: 8.04E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)C(O)=O.CN(C)CCCC2(OCc1cc(ccc12)C#N)c3ccc(F)cc3
(2)InChI:InChI=1/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)
(3)InChIKey:KTGRHKOEFSJQNS-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)
(5)Std. InChIKey:KTGRHKOEFSJQNS-UHFFFAOYSA-N