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Product Overview

Product Code

TRC-A629273

CAS Number

51756-80-0

Product Format

Neat

Molecular Formula

C37H46N2O12

Molecular Weight

710.77

API Family

Rifabutin

Product Categories

TRC, Macrolides, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

3-Aminorifamycin S (Technical Grade)

CAS Number

51756-80-0

Molecular Formula

C37H46N2O12

Molecular Weight

710.77

Accurate Mass

710.3051

SMILES

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(N)C(=O)c4c3C2=O)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

InChI

InChI=1S/C37H46N2O12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,38H2,1-9H3,(H,39,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Rifabutin

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3-Aminorifamycin S (Technical Grade)

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