Chemical identity

(3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine

CAS 143919-33-9 · C17H25NO

01Identity

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

Lazychem IDLC-00276
PubChem CID67742108
Name(3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine
CAS RN143919-33-9
Molecular formulaC17H25NO
Molecular weight259.39 g/mol
IUPAC name(3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine
InChIKeyTUOYJZHYGHLCHZ-PBHICJAKSA-N

02Structure identifiers

2D structurePubChem CID 67742108
2D structure: (3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine, CAS 143919-33-9
Structure of (3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine (CAS 143919-33-9). LazyChem record. Source identity: PubChem CID 67742108. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC17H25NO
InChIKeyTUOYJZHYGHLCHZ-PBHICJAKSA-N
Ring count2
Defined stereocentres2
Unassigned stereocentres0
SMILESC[C@@H]1CN(C=C[C@]1(C)C2=CC(=CC=C2)OC(C)C)C
InChIInChI=1S/C17H25NO/c1-13(2)19-16-8-6-7-15(11-16)17(4)9-10-18(5)12-14(17)3/h6-11,13-14H,12H2,1-5H3/t14-,17+/m1/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to (3R,4S)-1,2,3,4-Tetrahydro-4-(3-isopropoxyphenyl)-1,3,4-trimethylpyridine, CAS 143919-33-9
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 143919-33-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 143919-33-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Alvimopan

View API and impurity family

Other names

  • (3S,4R)-1,3,4-trimethyl-4-(3-propan-2-yloxyphenyl)-2,3-dihydropyridine
  • 4-(3-Isopropoxy-phenyl)-1,3,4-trimethyl-1,2,3,4-tetrahydro-pyridine

Related records from the same parent family

07Documented 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.

08Sources