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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H58N4O13
Molecular Weight 838.9396
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RIFAMPICIN N-OXIDE

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)C(\C=N\N5CC[N+](C)([O-])CC5)=C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C4C(O)=C3C

InChI

InChIKey=HLBLHKPXLRRUNR-WLSIYKJHSA-N
InChI=1S/C43H58N4O13/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-46-15-17-47(9,56)18-16-46)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,60-40)58-19-14-29(57-10)23(3)39(59-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H58N4O13
Molecular Weight 838.9396
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:06:37 GMT 2025
Edited
by admin
on Tue Apr 01 23:06:37 GMT 2025
Record UNII
QHT9Z36XBP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OXIDORIFAMPICIN
Preferred Name English
RIFAMPICIN N-OXIDE
Common Name English
RIFAMYCIN, 3-(((4-METHYL-1-PIPERAZINYL)IMINO)METHYL)-, N-OXIDE
Systematic Name English
RIFAMPICIN IMPURITY B [EP IMPURITY]
Common Name English
RIFAMPIN N-OXIDE
Common Name English
Rifamycin, 3-[[(4-methyl-4-oxido-1-piperazinyl)imino]methyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20966290
Created by admin on Tue Apr 01 23:06:37 GMT 2025 , Edited by admin on Tue Apr 01 23:06:37 GMT 2025
PRIMARY
PUBCHEM
137231149
Created by admin on Tue Apr 01 23:06:37 GMT 2025 , Edited by admin on Tue Apr 01 23:06:37 GMT 2025
PRIMARY
CAS
125833-03-6
Created by admin on Tue Apr 01 23:06:37 GMT 2025 , Edited by admin on Tue Apr 01 23:06:37 GMT 2025
PRIMARY
FDA UNII
QHT9Z36XBP
Created by admin on Tue Apr 01 23:06:37 GMT 2025 , Edited by admin on Tue Apr 01 23:06:37 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP