Chemical identity

(S)-4-(3-chloro-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-yl tert-butylcarbamate

CAS 1386861-47-7 · C22H25ClN2O4

01Identity

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

Lazychem IDLC-13660
PubChem CID175409136
Name(S)-4-(3-chloro-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-yl tert-butylcarbamate
CAS RN1386861-47-7
Molecular formulaC22H25ClN2O4
Molecular weight416.9 g/mol
IUPAC name(S)-4-(3-chloro-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-yl tert-butylcarbamate
InChIKeyWVKYWSZLAZWWQD-AWEZNQCLSA-N

02Structure identifiers

2D structurePubChem CID 175409136
Two-dimensional chemical structure of (S)-4-(3-chloro-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-yl tert-butylcarbamate, CAS 1386861-47-7
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, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](C(=O)CC1=C(C(=CC=C1)Cl)C(=O)NC2=CC=CC=C2)OC(=O)NC(C)(C)C
InChINot listed
Formula from structureC22H25ClN2O4
Molecular weight from structure416.9 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 1386861-47-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1386861-47-7 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

Duvelisib

View API and impurity family

Other names

  • Duvelisib Impurity 1

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