Chemical identity

Bortezomib S-Hydroperoxide (USP)

CAS 886979-81-3 · C19H24N4O4

01Identity

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

Lazychem IDLC-08473
PubChem CID137705736
NameBortezomib S-Hydroperoxide (USP)
CAS RN886979-81-3
Molecular formulaC19H24N4O4
Molecular weight372.43 g/mol
IUPAC nameN-((S)-1-(((S)-1-hydroperoxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
InChIKeyATPZUYZYORUVIK-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 137705736
Two-dimensional chemical structure of Bortezomib S-Hydroperoxide (USP), CAS 886979-81-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)OO
InChINot listed
Formula from structureC19H24N4O4
Molecular weight from structure372.43 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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 886979-81-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 886979-81-3 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

Bortezomib

View API and impurity family

Other names

  • Bortezomib Impurity 13
  • Bortezomib S-Hydroperoxide (USP)
  • N-((S)-1-(((S)-1-Hydroperoxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
  • 886979-81-3
  • RefChem:823244
  • 816-338-4
  • N-[1-[(1-Hydroperoxy-3-methylbutyl)amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
  • C19H24N4O4
  • N-[(2S)-1-[[(1R)-1-hydroperoxy-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
  • N-[1-benzyl-2-[(1-hydroperoxy-3-methyl-butyl)amino]-2-oxo-ethyl]pyrazine-2-carboxamide
  • N-[(2S)-1-[[(1S)-1-hydroperoxy-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide

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