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Chemistry

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Also known as: 1060616-79-6, 4xft5y771r, [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4h-thieno[3,2-c]pyridin-2-yl] acetate;hydrobromide, Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, hydrobromide (1:1), Unii-4xft5y771r, Schembl12500563
Molecular Formula
C20H21BrFNO3S
Molecular Weight
454.4  g/mol
InChI Key
AOMDYJTUFSZDBZ-UHFFFAOYSA-N
FDA UNII
4XFT5Y771R

Prasugrel Hydrobromide
1 2D Structure

Prasugrel Hydrobromide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrobromide
2.1.2 InChI
InChI=1S/C20H20FNO3S.BrH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
2.1.3 InChI Key
AOMDYJTUFSZDBZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Br
2.2 Other Identifiers
2.2.1 UNII
4XFT5Y771R
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1060616-79-6

2. 4xft5y771r

3. [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4h-thieno[3,2-c]pyridin-2-yl] Acetate;hydrobromide

4. Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4h)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, Hydrobromide (1:1)

5. Unii-4xft5y771r

6. Schembl12500563

7. Akos015896238

8. Prasugrel Hydrobromide [who-dd]

2.4 Create Date
2008-12-08
3 Chemical and Physical Properties
Molecular Weight 454.4 g/mol
Molecular Formula C20H21BrFNO3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass453.04096 g/mol
Monoisotopic Mass453.04096 g/mol
Topological Polar Surface Area74.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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