ICI 118,551 hydrochloride

Basic Information

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CAS Number

72795-01-8

Molecular Formula

C17H28ClNO2

Molecular Weight

313.87 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O.Cl

InChI

InChI=1S/C17H27NO2.ClH/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17;/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3;1H/t13-,16+;/m1./s1

InChIKey

KBXMBGWSOLBOQM-CACIRBSMSA-N

LogP

3.031720000000002

Topological Polar Surface Area

41.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

295

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

CHEMBL1571692
AC-35705
MLS002153415
ICI 118551 Hydrochloride
72795-01-8
AS-58412
threo-ICI 118551 Hydrochloride
(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol;hydrochloride
SMR001230791
ICI 118,551 hydrochloride, >=98% (HPLC), powder
(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(propan-2-yl)amino]butan-2-ol hydrochloride
72795-04-1
ICI 118,551 hydrochloride
AKOS030242891
2-Butanol,1-[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-,hydrochloride, (2R,3R)-rel- (9CI)
(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol,hydrochloride
2-Butanol,1-[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-,hydrochloride,...
ICI 118551 (hydrochloride)
ICI-118551 hydrochloride
(2R,3R)-rel-3-isopropylamino-1-(7-methylindan-4-yloxy)-butan-2-ol hydrochloride
(2R,3R)-rel-1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-2-butanol hydrochloride (1:1)
ICI 111581
(2R,3S)-rel-1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-2-butanol Hydrochloride
(R*,S*)-()-1-[(2,3-Dihydro-7-methyl
ICI 118551 hydrochloride

MDL Number

MFCD00153812

FAQ

What is ICI 118,551 hydrochloride (CAS: 72795-01-8)?

ICI 118,551 hydrochloride is a chemical compound with a CAS number of 72795-01-8. It is a hydrochloride salt form of the compound ICI 118,551, which is a potent and selective prostaglandin E2 receptor agonist used in research and drug development.

What are the main uses of ICI 118,551 hydrochloride (CAS: 72795-01-8)?

ICI 118,551 hydrochloride is primarily used in research for studying prostaglandin E2 receptor signaling pathways. It has potential applications in developing new drugs for various therapeutic areas, including inflammation, pain, and cardiovascular diseases.

Is ICI 118,551 hydrochloride (CAS: 72795-01-8) safe?

ICI 118,551 hydrochloride is generally safe when handled under proper laboratory conditions. However, it is important to follow all safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Avoid contact with skin and eyes, and store in a secure place away from unauthorized access.

How should ICI 118,551 hydrochloride (CAS: 72795-01-8) be stored?

ICI 118,551 hydrochloride should be stored in a cool, dark place to minimize exposure to light and heat. Keep it away from moisture and ensure it is stored in a well-ventilated area. The compound should be kept in a tightly sealed container to prevent degradation. It is recommended to store it at room temperature (15-25°C) and avoid freezing or high temperatures.