(R,R,R)-Aprepitant

Name: (R,R,R)-Aprepitant
Brand: 2A Biotech
SKU: 2A-3176319

CAS Number1148113-53-4

SynonymsExact Mass 534.150208; PSA 83.50000; LogP 4.23; Index of Refraction 1.564; InChIKey ATALOFNDEOCMKK-TVNIXMEMSA-N

Molecular FormulaC23H21F7N4O3

Molecular Weight534.43

Density1.5±0.1 g/cm3

Cat. No.: 2A-3176319 Purity:

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Quality Control of [ 1148113-53-4 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number	1148113-53-4
Catalog No.	2A-3176319
Chinese Name	阿瑞吡坦相关物质A
Synonyms	Exact Mass 534.150208; PSA 83.50000; LogP 4.23; Index of Refraction 1.564; InChIKey ATALOFNDEOCMKK-TVNIXMEMSA-N
Molecular Formula	C23H21F7N4O3
Molecular Weight	534.43
Density	1.5±0.1 g/cm3
Storage Condition	2-8°C, sealed, dry
MDL Number	MFCD35088665
SMILES	FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@H](O[C@H]2OCCN([C@@H]2c4ccc(cc4)F)Cc3[nH]nc(n3)O)C
InChI	1S/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 Key	ATALOFNDEOCMKK-TVNIXMEMSA-N
NACRES Code	NA.24
UNSPSC	41116107
MSDS	msds/176830_1_1148113_53_4.pdf
Transport Info	Product name: Aprepitant related substance A

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