Chemical identity

(R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine

CAS 143919-32-8 · C16H23NO

01Identity

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

Lazychem IDLC-00575
PubChem CID10220507
Name(R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine
CAS RN143919-32-8
Molecular formulaC16H23NO
Molecular weight245.36 g/mol
IUPAC name(R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine
InChIKeyJCOCMGVCOFDDLL-ZDUSSCGKSA-N

02Structure identifiers

2D structurePubChem CID 10220507
2D structure: (R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine, CAS 143919-32-8
Structure of (R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine (CAS 143919-32-8). LazyChem record. Source identity: PubChem CID 10220507. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H23NO
InChIKeyJCOCMGVCOFDDLL-ZDUSSCGKSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@H]1CN(CC=C1C2=CC(=CC=C2)OC(C)C)C
InChIInChI=1S/C16H23NO/c1-12(2)18-15-7-5-6-14(10-15)16-8-9-17(4)11-13(16)3/h5-8,10,12-13H,9,11H2,1-4H3/t13-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
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.

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 (R)-1,2,3,6-Tetrahydro-4-(3-isopropoxyphenyl)-1,3-dimethylpyridine, CAS 143919-32-8
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 143919-32-8 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 143919-32-8 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

  • (R)-4-(3-Isopropoxyphenyl)-1,3-dimethyl-1,2,3,6-tetrahydropyridine
  • (3R)-1,3-dimethyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
  • Pyridine, 1,2,3,6-tetrahydro-1,3-dimethyl-4-[3-(1-methylethoxy)phenyl]-, (3R)-
  • CS-M1738
  • CS-14497
  • 4-(3-Isopropoxy-phenyl)-1,3-dimethyl-1,2,3,6-tetrahydro-pyridine
  • (3R)-4-(3-ISOPROPOXYPHENYL)-1,3-DIMETHYL-3,6-DIHYDRO-2H-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