Chemical identity

Rifabutin EP Impurity E/ 25-O-Deacetyl Rifabutin/ 16-Deacetylrifabutin (Free Base)

CAS 100324-63-8 · C44H60N4O10

01Identity

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

Lazychem IDLC-26970
PubChem CID135472677
NameRifabutin EP Impurity E/ 25-O-Deacetyl Rifabutin/ 16-Deacetylrifabutin (Free Base)
CAS RN100324-63-8
Molecular formulaC44H60N4O10
Molecular weight804.97 g/mol
IUPAC name16-Deacetylrifabutin
InChIKeyFZAPWRFYENETJG-FMPFFZOVSA-N

02Structure identifiers

2D structurePubChem CID 135472677
Two-dimensional chemical structure of Rifabutin EP Impurity E/ 25-O-Deacetyl Rifabutin/ 16-Deacetylrifabutin (Free Base), CAS 100324-63-8
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 amines1
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)O)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)/C
InChINot listed
Formula from structureC44H60N4O10
Molecular weight from structure804.97 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 100324-63-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 100324-63-8 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

Rifabutin

View API and impurity family

Other names

  • Rifabutin EP Impurity E
  • 25-O-Deacetyl Rifabutin
  • (7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-2,13,15,17,32-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-6,23-dione
  • 16-Deacetylrifabutin

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