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1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxyphenyl)ethanone | CAS No. 133454-47-4

1-(4-{3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy}-3-methoxyphenyl)ethanone

Basic Information

Chemical_Structure_Of

CAS Number

133454-47-4

Molecular Formula

C24H27FN2O4

Molecular Weight

426.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

Powder

Melting Point

122.0 to 126.0 deg-C

Boiling Point

593.7±50.0 °C at 760 mmHg

Density

1.204

Solubility

DMSO: soluble5mg/mL, clear

Refractive Index

1.57

SMILES

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC

InChI

InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3

InChIKey

XMXHEBAFVSFQEX-UHFFFAOYSA-N

LogP

4.826600000000004

Topological Polar Surface Area

64.80000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

586

Safety Information

View Safety Information

GHS Hazard Pictograms

H361

H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

D02666
NCGC00188864-10
1-[4-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxyphenyl]-ethanone
1-[4-[3-[4-(6-fluoro-1,2- benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3- methoxyphenyl]ethanone
CCG-268962
Iloperidone [USAN:INN:BAN]
HMS3604B21
SCHEMBL115755
1-(4-(3-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethanone
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one
MFCD00866688
A806617
SW219279-1
1-(4-{3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanone
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-methoxyphenyl]-ethanone
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-ethanone
Ethanone, 1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-
1-(4-{3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxy-phenyl)-ethanone
ILOPERIDONE [ORANGE BOOK]
MLS006011943
ILOPERIDONE [USP-RS]
BCPP000206
EN300-119522
I0926
1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxyphenyl] ethanone
PDSP2_000513
ILOPERIDONE [WHO-DD]
CHEBI:65173
Iloperidone
SR-01000940095
CHEMBL14376

MDL Number

MFCD00866688

Customs Code

2934999090

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

JianZhu Biotechnology Co Ltd

CAS Number: 133454-47-4

East Asia Chemical Co., Ltd. Shandong

CAS Number: 133454-47-4

Wuhan HuJiu Medicine Technology Co., Ltd.

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ShangHaiJiZhiShengHua Technology Co Ltd

CAS Number: 133454-47-4

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

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Hubei Nona Technology Co., Ltd.

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Shanghai Jixiang Biotechnology Co., Ltd.

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WuHanXinBaiChuanYiYao Technology Co Ltd

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HuBeiJiaKe Biotechnology Co Ltd

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Chengdu Xinhangchuang Pharmaceutical Co., Ltd.

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Shandong Jingyuan Pharmaceutical Co., Ltd.

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Beijing Gaobo Medicinal Chemistry Technology Development Co., Ltd.

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ShenZhenRuiXinDaYiYao Technology Co Ltd

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FuXinBoDaWeiYiYao Technology Co Ltd

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SuiZhouTianFengHuaGong Technology Co Ltd

CAS Number: 133454-47-4