Rifapentine

CAT: 0931-T1629-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T1629-02Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

61379-65-5

Target

DNA/RNA Synthesis, Antibiotic, Antibacterial

Related Pathways

Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Microbiology/Virology

Purity

≥98%

Bioactivity

Rifapentine (Rifapentinum) is a long-acting, cyclopentyl-substituted derivative of rifamycin used to treat mycobacterium infections.

Smiles

OC1=C2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)\C(=O)NC(C(O)=C2C(O)=C4C)=C1C=NN5CCN(CC5)C6CCCC6

Molecular Formula

C47H64N4O12

Molecular Weight

877.03

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rifapentine

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.

CAS Number	61379-65-5
PubChem CID	135403821
IUPAC Name	[(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
Molecular Formula	C47H64N4O12
Molecular Weight	877.0
XLogP	6.7
Topological Polar Surface Area	220
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Heavy Atom Count	63
Formal Charge	0
Complexity	1730

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

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/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1

InChIKey

WDZCUPBHRAEYDL-GZAUEHORSA-N

Chemical Structure

2D Structure

CAS: 61379-65-5

CID: 135403821

Formula: C47H64N4O12

MW: 877.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	877.0
XLogP3	6.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Exact Mass	876.45207349
Monoisotopic Mass	876.45207349
Topological Polar Surface Area	220 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1730
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2127-5.1	Rifapentine

Rifapentine

Chemical Information

Alternative Products

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