AG00AQCD

1627607-87-7 | PFI-2 (hydrochloride)

AG00AQCD

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CAS Number	1627607-87-7
Catalog Number	AG00AQCD
Chemical Name	PFI-2 (hydrochloride)
IUPAC Name	8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride
InChI	InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m1./s1
InChI Key	ZADKZNVAJGEFLC-ZMBIFBSDSA-N
MDL Number	MFCD28133380
Molecular Formula	C23H26ClF4N3O3S
Molecular Weight	535.9825
SMILES	O=S(C1=CC2=C(CNCC2)C(F)=C1)(N[C@H](CC3=CC=CC(C(F)(F)F)=C3)C(N4CCCC4)=O)=O.[H]Cl
Synonyms	PFI-2 (hydrochloride), 1627607-87-7, PFI-2 HCl, (R)-PFI 2 hydrochloride, (1R)-1-[[3-(Trifluoromethyl)phenyl]methyl]-2-oxo-2-(1-pyrrolidinyl)ethyl]1,2,3,4-tetrahydro-6-isoquinolinesulfonamide hydrochloride, (R)-PFI-2 hydrochloride, (R)PFI-2 HCl, (S)-PFI-2 HCl, C23H25F4N3O3S.ClH, 1627607-88-8, EX-A1604, 2944AH, HY-18627A, AKOS024458403, (R)-PFI-2, >=97% (HPLC), PFI-2 hydrochloride, PFI-2, CS-4178, 1627607-87-7 (HCl),

Complexity	813
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	535.132g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	535.983g/mol
Monoisotopic Mass	535.132g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	86.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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