Chemical identity

Pretomanid Hydroxy Propyl Pivalate Impurity

CAS 2755727-09-2 · C11H16BrN3O5

01Identity

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

Lazychem IDLC-25967
PubChem CID172432076
NamePretomanid Hydroxy Propyl Pivalate Impurity
CAS RN2755727-09-2
Molecular formulaC11H16BrN3O5
Molecular weight350.17 g/mol
IUPAC name(S)-3-(2-Bromo-4-nitro-1H-imidazol-1-yl)-2-hydroxypropyl pivalate
InChIKeyBKBKHXIZDFVGCY-ZETCQYMHSA-N

02Structure identifiers

2D structurePubChem CID 172432076
Two-dimensional chemical structure of Pretomanid Hydroxy Propyl Pivalate Impurity, CAS 2755727-09-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)C(=O)OC[C@H](CN1C=C(N=C1Br)[N+](=O)[O-])O
InChINot listed
Formula from structureC11H16BrN3O5
Molecular weight from structure350.17 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 2755727-09-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2755727-09-2 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

Pretomanid

View API and impurity family

Other names

  • (2S)-3-(2-Bromo-4-nitro-1H-imidazol-1-yl)-2-hydroxypropyl 2, 2-dimethylpropanoate

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