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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) | CAS No. 79547-78-7

(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

79547-78-7

Molecular Formula

C26H30ClFN2O2

Molecular Weight

457 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Nitriles
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

611°C at 760 mmHg

Flash Point

323.3°C

Solubility

DMSO: ~10 mg/mL, soluble

SMILES

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CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23-,25-,26-;/m1./s1

InChIKey

OICFWWJHIMKBCD-VALQNVSPSA-N

LogP

5.63398

Complexity

681

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • D01717
  • (3S,4R)-1-((1s,4R)-4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride
  • Levocabastine HCl
  • Levocabastine (hydrochloride)
  • CAS-79547-78-7
  • (-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid monohydrochloride
  • HY-14277A
  • DTXSID9045508
  • MLS002154116
  • LEVOCABASTINE HYDROCHLORIDE [VANDF]
  • R 50,547
  • Levocabastine for system suitability 2, European Pharmacopoeia (EP) Reference Standard
  • Levocabastine hydrochloride, European Pharmacopoeia (EP) Reference Standard
  • LEVOCABASTINE HYDROCHLORIDE [USP-RS]
  • Livostin (TN)
  • Q27251370
  • LEVOCABASTINE HYDROCHLORIDE [MART.]
  • NCGC00179240-04
  • AT25912
  • 4-Piperidinecarboxylic acid, 1-(4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenyl-, monohydrochloride, (-)-(1(cis),3alpha,4beta)-
  • SCHEMBL99969
  • 4-PIPERIDINECARBOXYLIC ACID, 1-(4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYL-, MONOHYDROCHLORIDE, (-)-(1(CIS),3.ALPHA.,4.BETA.)-
  • Levocabastine hydrochloride [USAN:USP]
  • (3S,4R)-Cabastine Hydrochloride
  • SCHEMBL99970
  • AKOS040744670
  • LEVOCABASTINE HYDROCHLORIDE [ORANGE BOOK]
  • LEVOCABASTINE HYDROCHLORIDE
  • Levocabastine hydrochloride, >=99% (HPLC), solid
  • Levocabastine hydrochloride, United States Pharmacopeia (USP) Reference Standard
  • R-50547

MDL Number

MFCD07787408

FAQ

What regulatory guidelines apply to (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7)?
The compound (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7) falls under the scope of the REACH regulation in the European Union, which requires notification and registration for chemicals. Additionally, it may require classification and labeling under GHS (Globally Harmonized System of Classification and Labeling of Chemicals), especially for cyanide and fluoro compounds. In the USA, it may also be subject to FDA and EPA regulations related to hazardous materials and environmental protection.

Are there alternatives to (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7) in synthesis?
There are several alternatives to (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride in synthesis, including other piperidine derivatives, such as (3S,4R)-1-[cis-4-cyanocyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride or (3S,4R)-1-[cis-4-(4-chlorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride. These alternatives may offer similar or different properties depending on the specific requirements of the synthesis process.

What is the market or research trend for (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7)?
The market for (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7) has shown steady growth due to its applications in pharmaceuticals and agrochemicals. Research trends indicate an increasing focus on the development of more efficient synthesis methods and the exploration of its potential in new drug discovery processes. Additionally, there is growing interest in understanding the environmental impact and sustainable use of such compounds.

How should waste containing (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7) be handled?
Waste containing (3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (CAS: 79547-78-7) should be collected and disposed of according to hazardous waste regulations. It is recommended to use appropriate collection containers and ensure proper labeling. For disposal, incineration or professional waste disposal services should be utilized, and environmental protection measures, such as neutralization and treatment of waste liquids, should be implemented to minimize environmental impact. Compliance with local and national regulations is essential to ensure safe and sustainable waste management.

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Supplier Information

(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 79547-78-7

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XiAnXiaoCaoZhiWuKeJiYouXianZeRenGongSiXiaoShouBu

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ShangHaiKaiSen Biotechnology Co Ltd

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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — ShenZhenZhenJiangShengWuJiShu Co Ltd

ShenZhenZhenJiangShengWuJiShu Co Ltd

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Shanghai Mofu Medicine Technology Co., Ltd.

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Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

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ShanXiHaoChenShengWuKeJiYouXianGongSiXiaoShouBu

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Shanghai Hansi Chemical Co., Ltd.

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HuBeiGuoYunFuRui Technology Co Ltd

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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 79547-78-7

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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — MedChemExpress LLC

MedChemExpress LLC

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Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 79547-78-7

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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

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(3S,4R)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrochloride (1:1) — Shanghai Yinxin Laboratory Equipment Co., Ltd.

Shanghai Yinxin Laboratory Equipment Co., Ltd.

CAS Number: 79547-78-7

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ShangHaiXinKaiYiYao Technology Co Ltd

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