Tipranavir-d4

CAT: 1596-AR-T02331-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T02331-04Size:100 Units

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CAS Number

1217819-15-2

Synonyms

N- (3- ((R) -1- ((R) -4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl) propyl) phenyl) -5- (trifluoromethyl) pyridine-2-sulfonamide-D4; N-[3-[ (1R) -1-[ (6R) -5,6-Dihydro-4-hydroxy-2-oxo-6- (2-phenylethyl) -6-propyl-2H-pyran-3-yl]propyl]phenyl]-5- (trifluoromethyl) -2-pyridinesulfonamide-d4; PNU-140690-d4; Aptivus-d4

Molecular Formula

C31H29F3N2O5SD4

Molecular Weight

606.7

API Name

Tipranavir

Chemical Information

Tipranavir-d4

CAS Number	1217819-15-2
PubChem CID	57369425
IUPAC Name	N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-(1,1,2,2-tetradeuteriopropyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
Molecular Formula	C31H33F3N2O5S
Molecular Weight	606.7
XLogP	7
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	42
Formal Charge	0
Complexity	1050

SMILES

[2H]C([2H])(C)C([2H])([2H])[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4

InChI

InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1/i3D2,16D2

InChIKey

SUJUHGSWHZTSEU-YBLLDNOUSA-N

Chemical Structure

2D Structure

CAS: 1217819-15-2

CID: 57369425

Formula: C31H33F3N2O5S

MW: 606.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	606.7
XLogP3	7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	606.23133480
Monoisotopic Mass	606.23133480
Topological Polar Surface Area	114 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1050
Isotope Atom Count	4
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
sc-220261	Tipranavir-d4
sc-220262	Tipranavir-d4 β-D-Glucuronide
sc-220260	Tipranavir
HY-15148S1-01	Tipranavir-d7
A15262-100	Tipranavir 100mg
A15262-25	Tipranavir 25mg
A15262-10	Tipranavir 10mg
HY-15148R-01	Tipranavir (Standard)
A15262-5	Tipranavir 5mg
A15262-1	Tipranavir 1mg

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Chemical Information

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