Chemical identity

Aliskiren Carboxylic Acid Impurity

CAS 173400-13-0 · C30H52N2O7

01Identity

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

Lazychem IDLC-05431
PubChem CID23625650
NameAliskiren Carboxylic Acid Impurity
CAS RN173400-13-0
Molecular formulaC30H52N2O7
Molecular weight552.74 g/mol
IUPAC name3-[[(2S,4S,5S,7S)-5-Amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl] methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl-propanoic acid
InChIKeyLRZFGPAQWQGXCX-QORCZRPOSA-N

02Structure identifiers

2D structurePubChem CID 23625650
Two-dimensional chemical structure of Aliskiren Carboxylic Acid Impurity, CAS 173400-13-0
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)O)O)N
InChINot listed
Formula from structureC30H52N2O7
Molecular weight from structure552.74 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 173400-13-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 173400-13-0 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

Aliskiren

View API and impurity family

Other names

  • Aliskiren Acid Impurity
  • Aliskiren Carboxylic Acid
  • 173400-13-0
  • 3-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]-2,2-dimethylpropanoic acid
  • DDT5N8PP96
  • SCHEMBL7311199
  • CHEMBL1195139
  • BDBM18347
  • 3-[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamido]-2,2-dimethylpropanoic acid
  • 3-[[(2S,4S,5S,7S)-5-Amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl-propanoic Acid
  • Propanoic acid, 3-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl
  • Propanoic acid, 3-[[5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl-, [2S-(2R*,4R*,5R*,7R*)]

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