Molecules/Rifapentine

Rifapentine

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

C47H64N4O12877.00 g/molCID 135403821

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Molecular Identity

Rifapentine

PubChem CID: 135403821

Rifapentine is a member of rifamycins, a N-alkylpiperazine and a N-iminopiperazine. It has a role as an antitubercular agent and a leprostatic drug.

2D Structure

Properties

C₄₇H₆₄N₄O₁₂

Molecular Formula

877.00

Molecular Weight

g/mol

876.4521

Exact Mass

6.7

XLogP

Above Lipinski threshold

220

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1730

Complexity

SMILES

Canonical SMILES

SMILES: CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C6CCCC6)C

Isomeric SMILES

SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)O)/C=N/N5CCN(CC5)C6CCCC6)/C

Synonyms(20)

RIFAPENTINE61379-65-5PriftinRifapentinCyclopentylrifampicinRifamycin AF/ACPPMDL 473RifapentinaPrifitinMDL-473KTC-1RifapentinumDTXSID80411153-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Data from PubChem (NCBI)

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Molecular Structure

Rifapentine

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Source: PubChem

Drug Network

Trials and conditions connected to Rifapentine

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