List of API Suppliers of Fosaprepitant API listed on PharmaCompass.com

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Chemistry

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Also known as:
Molecular Formula
C37H56F7N6O16P
Molecular Weight
1004.8  g/mol
InChI Key
VRQHBYGYXDWZDL-OOZCZQCLSA-N

Fosaprepitant
1 2D Structure

Fosaprepitant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-3-oxo-1H-1,2,4-triazol-2-yl]phosphonic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
2.1.2 InChI
InChI=1S/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
2.1.3 InChI Key
VRQHBYGYXDWZDL-OOZCZQCLSA-N
2.1.4 Canonical SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O
2.1.5 Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
2.2 Create Date
2007-02-10
3 Chemical and Physical Properties
Molecular Weight 1004.8 g/mol
Molecular Formula C37H56F7N6O16P
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count26
Rotatable Bond Count19
Exact Mass1004.33786385 g/mol
Monoisotopic Mass1004.33786385 g/mol
Topological Polar Surface Area350 A^2
Heavy Atom Count67
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API Reference Price

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19-Feb-2021
29-Jul-2024
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The mobile can't be empty