Aliskiren hemifumarate

Basic Information

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CAS Number

173334-58-2

Molecular Formula

C64H110N6O16

Molecular Weight

1219.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

72-75?C

SMILES

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CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/t2*22-,23-,24-,25-;/m00./s1

InChIKey

KLRSDBSKUSSCGU-ZRHJJGBDSA-N

LogP

6.298800000000016

Topological Polar Surface Area

366.86 Å²

Hydrogen Bond Donor/Acceptor

14 / 22

Complexity

836

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Sensitiveness

对热、光线敏感

Synonyms & References

English

Bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-(1-methylethyl)-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide) monofumarate
ALISKIREN HEMIFUMARATE COMPONENT OF AMTURNIDE
bis((2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methyl-2-(propan-2-yl)nonanamide) (2E)-but-2-enedioate
CGP 60536 (hemifumarate);CGP60536B (hemifumarate);SPP 100 (hemifumarate)
ALISKIREN HEMIFUMARATE [ORANGE BOOK]
CHEMBL3545059
ALISKIREN HEMIFUMARATE COMPONENT OF TEKAMLO
Aliskiren fumarate
CGP-60536B
Sprimeo
TEKTURNA HCT COMPONENT ALISKIREN HEMIFUMARATE
RAPRAZO-HCT COMPONENT ALISKIREN HEMIFUMARATE
Bis(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methyl-2-(1-methylethyl)nonanamide) (2E)-but-2-enedioate
ALISKIREN FUMARATE [MART.]
CS-0729
UNII-C8A0P8G029
ALISKIREN HEMIFUMARATE COMPONENT OF SPRIMEO-HCT
Tekturna
RASITRIO COMPONENT ALISKIREN HEMIFUMARATE
SCHEMBL187762
s2199
bis{(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide} (2E)-but-2-enedioate
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamide hemifumarate
ALISKIREN HEMIFUMARATE COMPONENT OF VALTURNA
ALISKIREN HEMIFUMARATE COMPONENT OF RASILEZ-HCT
KLRSDBSKUSSCGU-KRQUFFFQSA-N
CGP-60536
RASILEZ-HCT COMPONENT ALISKIREN HEMIFUMARATE
Aliskiren (hemifumarate)
CGP 60536
ALISKIREN FUMARATE [JAN]

MDL Number

MFCD10566724

FAQ

What are the physical and chemical properties of Aliskiren hemifumarate (CAS: 173334-58-2)?

Aliskiren hemifumarate (CAS: 173334-58-2) is a crystalline solid with a molecular weight of approximately 625.6 g/mol. It has a solubility of about 200 mg/mL in water and is practically insoluble in common organic solvents like ethanol and chloroform. Chemically, it is stable at room temperature but can degrade under strongly acidic or basic conditions. It shows minimal reactivity towards common chemicals and is best stored in a dry, cool place away from direct sunlight.

How is Aliskiren hemifumarate (CAS: 173334-58-2) typically synthesized?

Aliskiren hemifumarate (CAS: 173334-58-2) is synthesized via a multi-step process involving the condensation of aliskiren with fumaric acid hemifumarate. The reaction typically uses acetic anhydride as a condensing agent and occurs under moderate temperature and pressure conditions. The yield is around 90%, and the method is known for its high selectivity and good purity.

What industries use Aliskiren hemifumarate (CAS: 173334-58-2)?

Aliskiren hemifumarate (CAS: 173334-58-2) is primarily used in the pharmaceutical industry. It is an active pharmaceutical ingredient (API) used in the treatment of hypertension. While it has potential applications in other industries, its main use is in drug development and production.

What precautions should be taken when handling Aliskiren hemifumarate (CAS: 173334-58-2)?

When handling Aliskiren hemifumarate (CAS: 173334-58-2), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a well-ventilated area and avoid contact with acids or bases. In case of a spill, neutralize with a buffer solution and dispose of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.