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

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H49N3O12
Molecular Weight 799.8621
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIFAXIMIN Y

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=C\C=C\[C@@](C)(O)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C5=C4N=C6C=C(C)C=CN56

InChI

InChIKey=IXUWVEOBPCTRFV-ZIYCOVAJSA-N
InChI=1S/C43H49N3O12/c1-19-13-16-46-27(18-19)44-31-28-29-35(49)23(5)38-30(28)40(52)43(9,58-38)56-17-14-26(55-10)21(3)37(57-25(7)47)22(4)34(48)24(6)39(51)42(8,54)15-11-12-20(2)41(53)45-32(33(31)46)36(29)50/h11-18,21-22,24,26,34,37,48-50,54H,1-10H3,(H,45,53)/b15-11+,17-14+,20-12-/t21-,22-,24+,26+,34+,37-,42-,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula C43H49N3O12
Molecular Weight 799.8621
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:28 UTC 2023
Edited
by admin
on Sat Dec 16 14:32:28 UTC 2023
Record UNII
9NA6W8ZKA9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIFAXIMIN Y
Common Name English
RIFAXIMIN Y [EP IMPURITY]
Common Name English
RIFAXIMIN IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
9NA6W8ZKA9
Created by admin on Sat Dec 16 14:32:28 UTC 2023 , Edited by admin on Sat Dec 16 14:32:28 UTC 2023
PRIMARY
PUBCHEM
138393939
Created by admin on Sat Dec 16 14:32:28 UTC 2023 , Edited by admin on Sat Dec 16 14:32:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP