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1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | CAS No. 67915-31-5

1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine

Basic Information

Chemical_Structure_Of
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CAS Number

67915-31-5

Molecular Formula

C26H31Cl2N5O3

Molecular Weight

532.47 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

126.3 ºC

Boiling Point

681.8°C at 760 mmHg

Solubility

DMSO: soluble1mg/mL

SMILES

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CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1

InChIKey

BLSQLHNBWJLIBQ-OZXSUGGESA-N

LogP

4.462700000000004

Topological Polar Surface Area

64.88000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

693

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
H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • BDBM50375318
  • rac-1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine
  • (2R,4S)-terconazole
  • DTXSID2045498
  • TerconazoleVaginal Cream 0.8%
  • Fungistat
  • CHEBI:82980
  • AB00513849_07
  • R 42,470
  • BIDD:GT0705
  • BPBio1_000429
  • CS-6456
  • TERCONAZOLE (USP MONOGRAPH)
  • SCHEMBL23165
  • 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine
  • SMR001233206
  • Pharmakon1600-01503847
  • NSC760361
  • HMS2233C22
  • NSC331942
  • rel-(2S,4S)-Terconazole
  • NSC-331942
  • C08080
  • termayazole
  • NS00009370
  • 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
  • CCG-213216
  • Tox21_110679
  • NCGC00179575-01
  • AS-14153
  • 67915-31-5

MDL Number

MFCD05662369

FAQ

What is 1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine (CAS: 67915-31-5)?
1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine is a complex organic compound with a unique structure. It contains a piperazine ring, a triazole, and a dioxolane moiety, making it suitable for various applications in pharmaceuticals and research. This compound is primarily used in the synthesis of new drugs and as a research tool.

What are the main uses of 1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine (CAS: 67915-31-5)?
1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine is mainly used in the pharmaceutical industry for developing new drugs and as a research tool in academia. It is also utilized in the synthesis of other organic compounds.

Is 1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine (CAS: 67915-31-5) safe?
1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine is generally safe when used in accordance with safety guidelines. It is important to handle this compound with appropriate personal protective equipment (PPE) and follow all safety protocols to avoid exposure. Ensure proper ventilation and store it in a cool, dry place away from direct sunlight.

How should 1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine (CAS: 67915-31-5) be stored?
1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and contamination. Ensure proper ventilation and handle it with appropriate personal protective equipment at all times.

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Hubei Tuopan Chemical Co., Ltd.

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1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine — ShangHaiJiZhiShengHua Technology Co Ltd

ShangHaiJiZhiShengHua Technology Co Ltd

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Hangzhou Wehwa Bio-Technology Co., Ltd.

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1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine — HuBeiJiFeiYiYao Chemical Co Ltd

HuBeiJiFeiYiYao Chemical Co Ltd

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1-(4-{[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine — Jiangsu Province Yangzhou Tend Chemical Factory

Jiangsu Province Yangzhou Tend Chemical Factory

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Shenzhen Xing Kaiyue Biotechnology Co., Ltd.

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