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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H45NO12
Molecular Weight 695.7527
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIFAMYCIN S

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(=O)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)=CC4=O)C(O)=C3C

InChI

InChIKey=BTVYFIMKUHNOBZ-ODRIEIDWSA-N
InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H45NO12
Molecular Weight 695.7527
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:27 GMT 2023
Edited
by admin
on Fri Dec 15 15:37:27 GMT 2023
Record UNII
PI53N820JV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIFAMYCIN S
MI  
Common Name English
1,4-DIDEOXY-1,4-DIHYDRO-1,4-DIOXORIFAMYCIN
Common Name English
((2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,17,19-TRIHYDROXY-23-METHOXY-2,4,12,16,18,20,22-HEPTAMETHYL-1,6,9,11-TETRAOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA(1,11,13)TRIENAZANO)NAPHTHO(2,1-B)FURAN-21-YL ACETATE
Systematic Name English
RIFAXIMIN IMPURITY E [EP IMPURITY]
Common Name English
RIFAMYCIN S [EP IMPURITY]
Common Name English
RIFAMYCIN SODIUM IMPURITY B [EP IMPURITY]
Common Name English
RIFAMYCIN S [MI]
Common Name English
NSC-144130
Code English
Code System Code Type Description
CAS
13553-79-2
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID301043935
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
FDA UNII
PI53N820JV
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
PUBCHEM
6436726
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-938-4
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
MERCK INDEX
m9612
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY Merck Index
NSC
144130
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
MESH
C032779
Created by admin on Fri Dec 15 15:37:27 GMT 2023 , Edited by admin on Fri Dec 15 15:37:27 GMT 2023
PRIMARY
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