Chemical identity

Alvimopan (2S, 3S, 4S)-Isomer / N-Ethyl Acetate Alvimopan

CAS 2280857-23-8 · C25H32N2O4

01Identity

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

Lazychem IDLC-05696
PubChem CID101669947
NameAlvimopan (2S, 3S, 4S)-Isomer / N-Ethyl Acetate Alvimopan
CAS RN2280857-23-8
Molecular formulaC25H32N2O4
Molecular weight424.54 g/mol
IUPAC name((S)-2-benzyl-3-((3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoyl)glycine
InChIKeyUPNUIXSCZBYVBB-AOUJKTHWSA-N

02Structure identifiers

2D structurePubChem CID 101669947
Two-dimensional chemical structure of Alvimopan (2S, 3S, 4S)-Isomer / N-Ethyl Acetate Alvimopan, CAS 2280857-23-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC[C@@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O
InChINot listed
Formula from structureC25H32N2O4
Molecular weight from structure424.54 g/mol

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

4 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 2280857-23-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2280857-23-8 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

Alvimopan

View API and impurity family

Other names

  • Alvimopan Isomer (2S, 3S, 4S)
  • N-Ethyl Acetate Alvimopan
  • (2S,3S,4S)-Alvimopan
  • 2280857-23-8
  • Alvimopan Impurity I
  • Alvimopan Impurity 7
  • 8LMU8C3FGR
  • Alvimopan, (2S,3S,4S)-
  • SCHEMBL19367975
  • 2-((S)-2-benzyl-3-((3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid
  • Glycine, N-[(2S)-2-[[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-
  • N-[(2S)-2-[[(3S,4S)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]glycine

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