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Rifapentine
Also known as:
Molecular Formula
C47H64N4O12
Molecular Weight
877.0  g/mol
InChI Key
RISDZDVHYCURHD-QLWTZYDESA-N

1 2D Structure

Rifapentine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-26-[[(4-cyclopentylpiperazin-1-yl)amino]methylidene]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate
2.1.2 InChI
InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,48,53-55,57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,32-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
2.1.3 InChI Key
RISDZDVHYCURHD-QLWTZYDESA-N
2.1.4 Canonical SMILES
CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN5CCN(CC5)C6CCCC6)O)C
2.1.5 Isomeric SMILES
C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)O)/C
2.2 Create Date
2005-11-29
3 Chemical and Physical Properties
Molecular Weight 877.0 g/mol
Molecular Formula C47H64N4O12
XLogP35.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass876.45207349 g/mol
Monoisotopic Mass876.45207349 g/mol
Topological Polar Surface Area217 A^2
Heavy Atom Count63
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NamePriftin
PubMed HealthRifapentine (By mouth)
Drug ClassesAntitubercular
Drug LabelPRIFTIN (rifapentine) for oral administration contains 150 mg of the active ingredient rifapentine per tablet. The 150 mg tablets also contain, as inactive ingredients: calcium stearate, disodium EDTA, FD&C Blue No. 2 aluminum lake, hydroxypropyl cel.
Active IngredientRifapentine
Dosage FormTablet
RouteOral
Strength150mg
Market StatusPrescription
CompanySanofi Aventis Us

2 of 2  
Drug NamePriftin
PubMed HealthRifapentine (By mouth)
Drug ClassesAntitubercular
Drug LabelPRIFTIN (rifapentine) for oral administration contains 150 mg of the active ingredient rifapentine per tablet. The 150 mg tablets also contain, as inactive ingredients: calcium stearate, disodium EDTA, FD&C Blue No. 2 aluminum lake, hydroxypropyl cel.
Active IngredientRifapentine
Dosage FormTablet
RouteOral
Strength150mg
Market StatusPrescription
CompanySanofi Aventis Us

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