Chemical identity

Rifaximin EP Impurity H/ Rifaximin BP Impurity H/ 16-Desmethyl-16-Hydroxymethyl Rifaximin

CAS 1210022-90-4 · C43H51N3O12

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-27000
PubChem CID46927912
NameRifaximin EP Impurity H/ Rifaximin BP Impurity H/ 16-Desmethyl-16-Hydroxymethyl Rifaximin
CAS RN1210022-90-4
Molecular formulaC43H51N3O12
Molecular weight801.88 g/mol
IUPAC name(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-Tetrahydroxy-16-(hydroxymethyl)-27-methoxy-2,4,11,20,22,24,26-heptamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13] trienoimino)[1]benzofuro-[4,5-e]pyrido[1,2-a]benzimidazol-25-yl acetate
InChIKeyQCTUFZPLJLQLQM-SRVBJRABSA-N

02Structure identifiers

2D structurePubChem CID 46927912
Two-dimensional chemical structure of Rifaximin EP Impurity H/ Rifaximin BP Impurity H/ 16-Desmethyl-16-Hydroxymethyl Rifaximin, CAS 1210022-90-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(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)C5=C2N6C=CC(=CC6=N5)C)O)/CO
InChINot listed
Formula from structureC43H51N3O12
Molecular weight from structure801.88 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1210022-90-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1210022-90-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Rifaximin

View API and impurity family

Other names

  • Rifaximin EP Impurity H
  • Rifaximin BP Impurity H/ 16-Desmethyl-16-Hydroxymethyl Rifaximin
  • 16-Desmethyl-16-(hydroxymethyl)rifaximin
  • 1210022-90-4
  • UNII-X5ZC3G20EC
  • X5ZC3G20EC
  • Rifaximin impurity H [EP]
  • RIFAXIMIN IMPURITY H [EP IMPURITY]
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(Acetyloxy)-5,6,21,23-tetrahydroxy-16-(hydroxymethyl)-27-methoxy-2,4,11,20,22,24,26-heptamethyl-2,7-(epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-E)pyrido(1,2-a)benzimidazole-1,15(2H)-dione
  • 2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-E)pyrido(1,2-a)benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-16-(hydroxymethyl)-27-methoxy-2,4,11,20,22,24,26-heptamethyl-, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-Tetrahydroxy-16-(hydroxymethyl)-27-methoxy-2,4,11,20,22,24,26-heptamethyl-1,15-dioxo-1,2-dihydro2,7-(epoxypentadeca(1,11,13)trienoimino)(1)benzofuro(4,5-E)pyrido(1,2-a)benzimidazol-25-yl acetate
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-TETRAHYDROXY-16-(HYDROXYMETHYL)-27-METHOXY-2,4,11,20,22,24,26-HEPTAMETHYL-1,15-DIOXO-1,2-DIHYDRO2,7-(EPOXYPENTADECA(1,11,13)TRIENOIMINO)(1)BENZOFURO(4,5-E)PYRIDO(1,2-A)BENZIMIDAZOL-25-YL ACETATE (16-DESMETHYL-16-(HYDROXYMETHYL)RIFAXIMIN)

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources