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Rifamycin S

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Rifamycin S / CAS : 13553-79-2

Appearance Yellow to orange crystalline powder UN -
HS 29419030 DG Class -
Synonyms Rifamycin,1,4-Dideoxy-1,4-Dihydro-1,4-Dioxo; Einecs 236-938-4; Unii-Pi53N820Jv; Rifomycin-S; (12S,3E,5S,13E,15Z)-7T-Acetoxy-15,9C,11T-Trihydroxy-5R-Methoxy-12,4,6T,8C,10C,12T,16-Heptamethyl-2-Oxa-18-Aza-1(2,7)-Naphtho[2,1-B]Furana-Cyclooctadecaphane-3,13,15-Triene-11,6,9,17-Tetraone; Rifaximin S; O1,O4-Didehydro-Rifamycin; Nci 144-130; 1,4-Dideoxy-1,4-Dihydro-1,4-Dioxorifamycin; 1,4-Dideoxy-1,4-Dihydro-1,4-Dioxo-Rifamycin; 2,7-(Epoxypentadeca(1,11,13)Trienimino)Naphtho(2,1-B)Furan-1,6,9,11(2H)-Tetron; 4-Dideoxy-1,4-Dihydro-1,4-Dioxo-Rifamycin; Rifampicin S; Rifaximin Ep Impurity E (Rifamycin S); 2,7-(Epoxypentadeca[1,11,13]Trienimino)Naphtho[2,1-B]Furan-1,6,9,11(2H)-Tetrone, 5,17,19,21-Tetrahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-, 21-Acetate (7Ci,8Ci); Rifamycin Ep Impurity B
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Overview

Uses

Properties

Summary

Formula
C37H45NO12
Molecular Mass
695.75300
Exact Mass
695.29400
PSA
194.99000
Logp
3.95910
IUPAC
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-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
SMILES
C[C@H]1C=CC=C(C(=O)NC2=CC(=O)C3=C(C2=O)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)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
179-181 ºC (dec.)
Density
1.33 g/cm3
Boiling Point
917.4 ºC
Flash Point
508.6 ºC
Appearance
Yellow to orange crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
29419030
Export Rebate
13%

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