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Product Overview

Product Code

TRC-D231250

CAS Number

13292-45-0

Product Format

Neat

Molecular Formula

C42 H56 N4 O12

Molecular Weight

808.91

API Family

Rifampicin

Product Categories

TRC, Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

N-Demethyl Rifampin

CAS Number

13292-45-0

Molecular Formula

C42 H56 N4 O12

Molecular Weight

808.91

Accurate Mass

808.3895

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\N5CCNCC5)c(O)c4c3C2=O

InChI

InChI=1S/C42H56N4O12/c1-20-11-10-12-21(2)41(54)45-32-27(19-44-46-16-14-43-15-17-46)36(51)29-30(37(32)52)35(50)25(6)39-31(29)40(53)42(8,58-39)56-18-13-28(55-9)22(3)38(57-26(7)47)24(5)34(49)23(4)33(20)48/h10-13,18-20,22-24,28,33-34,38,43,48-52H,14-17H2,1-9H3,(H,45,54)/b11-10+,18-13+,21-12-,44-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Rifampicin

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