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Product Overview

Product Code

TRC-R508025

Product Format

Neat

Molecular Formula

C47 H64 N4 O13

Molecular Weight

893.03

API Family

Rifapentine

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

61379-65-5

Documentation

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Product Information

Chemical Data

Analyte Name

Rifapentine N-Oxide

Molecular Formula

C47 H64 N4 O13

Molecular Weight

893.03

Accurate Mass

892.447

SMILES

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N/N5CCN(=O)(CC5)C6CCCC6)c(O)c4c3C2=O

InChI

InChI=1S/C47H64N4O13/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-50-18-20-51(60,21-19-50)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,64-44)62-22-17-33(61-9)26(3)43(63-30(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

IUPAC

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(Z)-(4-cyclopentyl-4-oxo-1,4?5-diazinan-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-1,3,5(28),9,19,21,25(29),26-octaen-13-yl] acetate

Alternate CAS Number

61379-65-5

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Rifapentine

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Chemical Data

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