The Rifapentine, with the CAS registry number 61379-65-5, is also known as 3{[(4-Cyclopentyl-1-piperazinyl)imino]methyl}rifamycin. It belongs to the product categories of Active Pharmaceutical Ingredients; Rifapentine; Intermediates & Fine Chemicals; Pharmaceuticals; Chiral Reagents. Its EINECS registry number is 262-743-9. This chemical's molecular formula is C₄₇H₆₄N₄O₁₂ and molecular weight is 877.03. What's more, its systematic name is called (7S,11S,12S,13S,14R,15S,16R,17R,18R,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-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. Rifapentine is an antibiotic drug used in the treatment of tuberculosis.

Physical properties about Rifapentine are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 3.67; (3)ACD/BCF (pH 7.4): 4.21; (4)ACD/KOC (pH 5.5): 16.58; (5)ACD/KOC (pH 7.4): 19.06; (6)#H bond acceptors: 16; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 216.66 Å²; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 233.45 cm³; (12)Molar Volume: 655.736 cm³; (13)Polarizability: 92.547×10^-24cm³; (14)Surface Tension: 66.20 dyne/cm; (15)Density: 1.337 g/cm³.

Preparation of Rifapentine: this chemical can be prepared by 3-aldehyde rifamycin SV with 1-Amino-4-cyclopentylpiperazine. This reaction needs reagent tetrahydrofuran. The yield is 55 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3\C(=C\NN2CCN(C1CCCC1)CC2)\C6=C(\O)c5c3c4C(=O)[C@](Oc4c(c5O)C)(OC=C[C@H](OC)[C@@H]([C@@H](OC(=O)C)[C@@H]([C@@H](O)[C@H](C)[C@H](O)[C@@H](C=CC=C(C(=O)N6)C)C)C)C)C
(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+/m1/s1
(3) InChIKey: RISDZDVHYCURHD-JOXWUWGDSA-N

The toxicity data is as follows: