Chemical identity

Darunavir Diamino Impurity / Darunavir Impurity A

CAS 169280-56-2 · C20H29N3O3S

01Identity

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

Lazychem IDLC-12014
PubChem CID9888792
NameDarunavir Diamino Impurity / Darunavir Impurity A
CAS RN169280-56-2
Molecular formulaC20H29N3O3S
Molecular weight391.53 g/mol
IUPAC name4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
InChIKeyNUMJNKDUHFCFJO-VQTJNVASSA-N

02Structure identifiers

2D structurePubChem CID 9888792
Two-dimensional chemical structure of Darunavir Diamino Impurity / Darunavir Impurity A, CAS 169280-56-2
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N
InChINot listed
Formula from structureC20H29N3O3S
Molecular weight from structure391.53 g/mol

03Stereochemistry

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

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

Published same-connectivity configurations

5 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 169280-56-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 169280-56-2 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

Darunavir

View API and impurity family

Other names

  • Darunavir Diamino Impurity
  • Darunavir Impurity A
  • N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-4-aminobenzenesulfonamide
  • RefChem:822925
  • 458-140-7
  • 169280-56-2
  • 4-AMINO-N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-ISOBUTYLBENZENESULFONAMIDE
  • 4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
  • 4-AMINO-N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-N-ISOBUTYLBENZENE-1-SULFONAMIDE
  • MFCD16251177
  • 65P19KZ7JJ
  • R-374699

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