Gemfibrozil CAS#: 25812-30-0; ChemWhat Code: 137366

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameGemfibrozil
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Molecular StructureGemfibrozil-CAS-25812-30-0
CAS Registry Number 25812-30-0
EINECS Number247-280-2
MDL NumberMFCD00079335
Synonymsgemfibrozil
25812-30-0
5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid
Lopid
Jezil
Decrelip
Lipur
CI-719
Cholespid
Fibratol
Fibrocit
Gemfibril
Gemfibromax
Gemlipid
Hipolixan
Gemfibrozilo
Gemfibrozilum
Renabrazin
Clearol
Elmogan
Fetinor
Gemnpid
Innogen
Ipolipid
Lanaterom
Lifibron
Lipigem
Lipizyl
Micolip
Normolip
Progemzal
Reducel
Regulip
Sinelip
Synbrozil
Taborcil
Tentroc
Brozil
Gozid
Hidil
Lipira
Gemd
Gevilon Uno
WL-Gemfibrozil
Gen-Fibro
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-
Low-Lip
Gem-S
Lipozid
2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid
2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure
Gemfibrozilum [INN-Latin]
Gemfibrozilo [INN-Spanish]
CCRIS 318
2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure
EINECS 247-280-2
NSC-757024
BRN 1881200
Gemfibrozil (Lopid)
Valeric acid, 2,2-dimethyl-5-(2,5-xylyloxy)-
Bolutol
CHEBI:5296
Apo-Gemfibrozil
DTXSID0020652
UNII-Q8X02027X3
HSDB 7735
Gemfibrozil (Standard)
Gemfibrosil
Lipazil
Litarek
MFCD00079335
Trialmin
Ausgem
Pilder
CHEMBL457
Q8X02027X3
DTXCID20652
MLS000028421
Gemfibrozil [USAN:USP:INN:BAN]
2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid
5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid
NSC 757024
5-[(2,5-dimethylphenyl)oxy]-2,2-dimethylpentanoic acid
NCGC00016794-09
SMR000058393
Genlip
CAS-25812-30-0
GEMFIBROZIL (IARC)
GEMFIBROZIL [IARC]
Gemfibrozilum (INN-Latin)
Gemfibrozilo (INN-Spanish)
GEMFIBROZIL (MART.)
GEMFIBROZIL [MART.]
GEMFIBROZIL (USP-RS)
GEMFIBROZIL [USP-RS]
2,2-DIMETHYL-5-(2,5-XYLYLOXY) VALERIC ACID
GEMFIBROZIL (EP MONOGRAPH)
GEMFIBROZIL [EP MONOGRAPH]
Innogem
Gemcor
GEMFIBROZIL (USP MONOGRAPH)
GEMFIBROZIL [USP MONOGRAPH]
Gemfibrozil (USAN:USP:INN:BAN)
CI 719
Lopid (TN)
TEVA-A
SR-01000000056
Gemfibrozil (JAN/USP/INN)
Gemfibrozil,(S)
4TX
Prestwick_637
dimethylpentanoic acid
Spectrum_000825
CPD000058393
GEMFIBROZIL [MI]
114413-98-8
Opera_ID_1658
Prestwick0_000214
Prestwick1_000214
Prestwick2_000214
Prestwick3_000214
Spectrum2_001097
Spectrum3_000440
Spectrum4_000562
Spectrum5_000750
Spectrum5_001991
GEMFIBROZIL [INN]
GEMFIBROZIL [JAN]
GEMFIBROZIL [HSDB]
GEMFIBROZIL [INCI]
GEMFIBROZIL [USAN]
GEMFIBROZIL [VANDF]
SCHEMBL4813
BSPBio_000227
BSPBio_002060
GEMFIBROZIL [WHO-DD]
KBioGR_000964
KBioSS_001305
MLS001055364
MLS006011850
DivK1c_000138
SPECTRUM1500313
SPBio_001174
SPBio_002148
BPBio1_000251
GTPL3439
YSSJ5501
Gemfibrozil, analytical standard
Cl-719
HMS500G20
HY-B0258R
KBio1_000138
KBio2_001305
KBio2_003873
KBio2_006441
KBio3_001280
C10AB04
GEMFIBROZIL [ORANGE BOOK]
Gemfibrozil for system suitability
NINDS_000138
HMS1568L09
HMS1920B07
HMS2090K14
HMS2091H11
HMS2095L09
HMS2230H24
HMS3259M12
HMS3655C06
HMS3712L09
Pharmakon1600-10500313
5-(2,5-dimethylphenoxy)-2,2-
BCP08437
HY-B0258
Tox21_110613
Tox21_201997
Tox21_302784
BBL010807
BDBM50110590
CCG-40111
DL-414
NSC757024
s1729
STK618740
AKOS001606691
Tox21_110613_1
AB03034
AC-4225
DB01241
KS-5192
MCULE-4563546953
NC00565
IDI1_000138
NCGC00016794-01
NCGC00016794-02
NCGC00016794-03
NCGC00016794-04
NCGC00016794-05
NCGC00016794-06
NCGC00016794-07
NCGC00016794-08
NCGC00016794-10
NCGC00016794-11
NCGC00016794-13
NCGC00016794-14
NCGC00022722-03
NCGC00022722-04
NCGC00022722-05
NCGC00022722-06
NCGC00022722-07
NCGC00256601-01
NCGC00259546-01
SY052512
Gemfibrozil 100 microg/mL in Acetonitrile
SBI-0051391.P003
2,2-Dimethyl-5-(2,5-zlyloxy)valeric acid
AB00052003
CS-0694895
G0368
NS00010281
SW196802-3
2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaure
EN300-97098
C07020
D00334
D83091
AB00052003-15
AB00052003-16
AB00052003_17
AB00052003_18
A818037
Q384295
2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaure
2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeric Acid
5-(2,5-dimethyphenoxy)-2,2-dimethylpentanoic acid
SR-01000000056-3
SR-01000000056-4
SR-01000000056-6
SR-01000000056-7
W-107216
2,2-Dimethyl-5-(2,5-dimethylphenoxy)-pentanoic acid
BRD-K11129031-001-05-1
Z1259021151
Gemfibrozil, British Pharmacopoeia (BP) Reference Standard
Gemfibrozil, European Pharmacopoeia (EP) Reference Standard
Gemfibrozil, United States Pharmacopeia (USP) Reference Standard
Gemfibrozil, Pharmaceutical Secondary Standard; Certified Reference Material
Gemfibrozil for system suitability, European Pharmacopoeia (EP) Reference Standard
2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid, 2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid, 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic aci
Molecular FormulaC15H22O3
Molecular Weight250.33
InChIInChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChI KeyHEMJJKBWTPKOJG-UHFFFAOYSA-N
Isomeric SMILESCC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
Patent Information
Patent IDTitlePublication Date
WO2023/155912RECYCLABLE HIGH-REACTIVITY HYPERVALENT IODINE REAGENT2023
CN114149341Aryloxycyclohexyl amide AMPK agonist as well as preparation method and medical application thereof2021
CN112573978Efficient halogenation synthesis method of aryl halide2021
WO2020/128816PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF A BENZOXAZOLE TRANSTHYRETIN STABILIZER AND AN ADDITIONAL THERAPEUTIC AGENT2020
WO2020/243754LIGAND-ENABLED ß-C(sp3)–H LACTONIZATION FOR ß-C–H FUNCTIONALIZATIONS2020

Physical Data

AppearanceWhite crystalline powder
Melting Point, °C
334
61.2
59 – 61
58 – 70
61 – 63
Boiling Point, °C
158 – 159
Density, g·cm-3
1.09
Description (Association (MCS))Solvent (Association (MCS))Partner (Association (MCS))
Stability constant of the complex with …various solvent(s)human serum albumin
Stability constant of the complex with …various solvent(s)immobilized phospholipid membrane
Further physical properties of the complexH2OLixAl2(OH)6*yH2O

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum13Cchloroform-d1
Chemical shifts, Spectrum1Hchloroform-d1500
Chemical shifts, Spectrum13Cchloroform-d1126
Spectrum1H
Chemical shifts, Spectrum1Hchloroform-d1400
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bands, Spectrum
Spectrum
Bandspotassium bromide
Bands
Bands, Spectrumpotassium bromide
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Spectrum198.3, 275.2
Spectrumwater, dimethyl sulfoxide274
Spectrummethanol, water

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Gemfibrozil CAS# 25812-30-0
Route of Synthesis (ROS) of Gemfibrozil CAS# 25812-30-0
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane98%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; Inert atmosphere;98%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;94%

Safety and Hazards

Pictogram(s)exclamation-markhealth-hazardenvironment
SignalWarning
GHS Hazard StatementsH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H351 (24.62%): Suspected of causing cancer [Warning Carcinogenicity]
H361 (26.15%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H411 (24.62%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder the room temperature and away from light
HS Code
StorageUnder the room temperature and away from light
Shelf Life3 years
Market Price
Druglikeness
Lipinski rules component
Molecular Weight250.338
logP3.35
HBA2
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)46.53
Rotatable Bond (RotB)6
Matching Veber Rules2
Use Pattern
Gemfibrozil, with the chemical name 2,2-dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid. Gemfibrozil is a fibrate class lipid-regulating medication derived from clofibrate. It was introduced to the market in the United States in 1982. Gemfibrozil overcomes the serious hepatic toxicity associated with earlier lipid-lowering drugs such as clofibrate while retaining its efficacy. It promotes the breakdown of peripheral fat, reduces the hepatic uptake of free fatty acids, thereby decreasing intrahepatic triglyceride formation. Additionally, it inhibits the synthesis of very-low-density lipoprotein (VLDL) and reduces the generation of VLDL.

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Caming Pharmaceutical Limitedhttp://www.caming.com/
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