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Fosaprepitant structure, CAS 172673-20-0

Fosaprepitant

CAS Number172673-20-0

SynonymsEmend IV; L-758,298; Fosaprepitant

Molecular FormulaC23H22F7N4O6P

Molecular Weight1004.83

Purity≥98 (HPLC)%

Density1.7±0.1 g/cm3

Boiling Point588.9ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

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Symbol

Signal Word

Cat. No.: 2A-1198164 Purity: ≥98 (HPLC)%
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Quality Control of [ 172673-20-0 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number172673-20-0
Catalog No.2A-1198164
Chinese Name福沙吡坦
SynonymsEmend IV; L-758,298; Fosaprepitant
Molecular FormulaC23H22F7N4O6P
Molecular Weight1004.83
Purity≥98 (HPLC)
Density1.7±0.1 g/cm3
Boiling Point588.9ºC at 760 mmHg
Appearancepowder
Storage Condition2-8℃
ApplicationFosaprepitant (L-758298) is a water-soluble antagonist of neurokinin-1 receptor, which can act on nausea and vomiting caused by chemotherapy.
SMILESFC1=CC=C([C@@H]2N(CCO[C@@H]2O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)CC(NC4=O)=NN4P(O)(O)=O)C=C1.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1
InChI KeyVRQHBYGYXDWZDL-OOZCZQCLSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/200049_1_172673_20_0.pdf
Transport InfoProduct Name: Fosaprepitant
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