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Aprepitant structure, CAS 170729-80-3

Aprepitant

CAS Number170729-80-3

SynonymsEmend; aprepitant; S1189_Selleck; MK-0869; MK-869; Emend (TN); [3H]-Aprepitant; L-754030

Molecular FormulaC23H21F7N4O3

Molecular Weight534.43

Purity≥98 (HPLC)%

Density1.5±0.1 g/cm3

Boiling Point

Melting Point75-76 °C(lit.)

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9061292 Purity: ≥98 (HPLC)%
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Quality Control of [ 170729-80-3 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number170729-80-3
Catalog No.2A-9061292
Chinese Name阿瑞吡坦
SynonymsEmend; aprepitant; S1189_Selleck; MK-0869; MK-869; Emend (TN); [3H]-Aprepitant; L-754030
Molecular FormulaC23H21F7N4O3
Molecular Weight534.43
Purity≥98 (HPLC)
Density1.5±0.1 g/cm3
Melting Point75-76 °C(lit.)
Appearancepowder
Water SolubilityWater solubility: insoluble; slightly soluble: eth
Storage Condition-20°C Freezer
ApplicationAprepitant (MK-0869) is a selective and high-affinity neurokinin 1 receptor antagonist with a Kd value of 86 pM.
MDL NumberMFCD12912491
SMILESFC1=CC=C([C@@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC3)N3CC4=NNC(N4)=O)C=C1
InChI1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19-,20+/m1/s1
InChI KeyATALOFNDEOCMKK-BYYRLHKVSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/61292_1_170729_80_3.pdf
Transport InfoProduct Name: Aprepitant
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