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Fosaprepitant Benzyl Ester structure, CAS 889852-02-2

Fosaprepitant Benzyl Ester

CAS Number889852-02-2

SynonymsExact Mass 704.16300; PSA 128.72000; LogP 6.52870; InChIKey QOXVNNXGBGMHCL-UHFFFAOYSA-N; Synonyms

Molecular FormulaC30H28F7N4O6P

Molecular Weight704.52900

Purity

Density1.51±0.1 g/cm3 (20 ºC 760 Torr)

Boiling Point

Melting Point

Flash Point

Appearancewhite solid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-3185388 Purity:
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Quality Control of [ 889852-02-2 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number889852-02-2
Catalog No.2A-3185388
Chinese Name福沙吡坦二甲葡胺杂质 04
SynonymsExact Mass 704.16300; PSA 128.72000; LogP 6.52870; InChIKey QOXVNNXGBGMHCL-UHFFFAOYSA-N; Synonyms
Molecular FormulaC30H28F7N4O6P
Molecular Weight704.52900
Density1.51±0.1 g/cm3 (20 ºC 760 Torr)
Appearancewhite solid
Water SolubilityInsuluble (1.1E-3 g/L) (25 ºC)
Storage Condition2-8℃, dry, sealed
PubChem ID16607610
SMILESCC(OC1OCCN(Cc2nn(P(=O)(O)OCc3ccccc3)c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C30H28F7N4O6P/c1-18(21-13-22(29(32,33)34)15-23(14-21)30(35,36)37)47-27-26(20-7-9-24(31)10-8-20)40(11-12-45-27)16-25-38-28(42)41(39-25)48(43,44)46-17-19-5-3-2-4-6-19/h2-10,13-15,18,26-27H,11-12,16-17H2,1H3,(H,43,44)(H,38,39,42)/t18-,26+,27-/m1/s1
InChI KeyQOXVNNXGBGMHCL-UHFFFAOYSA-N
Transport InfoProduct name: Fosaprepitant dimeglumine impurity 04
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