U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H58N4O13
Molecular Weight 838.9396
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
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

Approval Year

Name Type Language
RIFAMPICIN N-OXIDE
Common Name English
RIFAMYCIN, 3-(((4-METHYL-1-PIPERAZINYL)IMINO)METHYL)-, N-OXIDE
Systematic Name English
N-OXIDORIFAMPICIN
Common Name English
RIFAMPICIN IMPURITY B [EP IMPURITY]
Common Name English
RIFAMPIN N-OXIDE
Common Name English
3-(((4-METHYL-1-PIPERAZINYL)OXIDOIMINO)METHYL)RIFAMYCIN
Systematic Name English
RIFAMYCIN, 3-(((4-METHYL-1-PIPERAZINYL)OXIDOIMINO)METHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20966290
Created by admin on Sat Dec 16 14:20:05 GMT 2023 , Edited by admin on Sat Dec 16 14:20:05 GMT 2023
PRIMARY
PUBCHEM
137231149
Created by admin on Sat Dec 16 14:20:05 GMT 2023 , Edited by admin on Sat Dec 16 14:20:05 GMT 2023
PRIMARY
CAS
51963-55-4
Created by admin on Sat Dec 16 14:20:05 GMT 2023 , Edited by admin on Sat Dec 16 14:20:05 GMT 2023
PRIMARY
FDA UNII
QHT9Z36XBP
Created by admin on Sat Dec 16 14:20:05 GMT 2023 , Edited by admin on Sat Dec 16 14:20:05 GMT 2023
PRIMARY