Chemical identity

(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride

CAS 1195949-26-8 · C16H14ClNO

01Identity

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

Lazychem IDLC-28315
PubChem CID54751763
Name(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride
CAS RN1195949-26-8
Molecular formulaC16H14ClNO
Molecular weight271.74 g/mol
IUPAC name(S)-1-Phenyl-3,4-dihydroisoquinoline-2(1H)-carbonyl chloride
InChIKeyRRAXMPIDJONJNT-HNNXBMFYSA-N

02Structure identifiers

2D structurePubChem CID 54751763
Two-dimensional chemical structure of (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride, CAS 1195949-26-8
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1CN([C@H](C2=CC=CC=C21)C3=CC=CC=C3)C(=O)Cl
InChINot listed
Formula from structureC16H14ClNO
Molecular weight from structure271.74 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
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.

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 1195949-26-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1195949-26-8 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

Solifenacin

View API and impurity family

Other names

  • Solifenacin Impurity 9
  • (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl chloride
  • 1195949-26-8
  • RefChem:393829
  • 968-667-9
  • (s)-1-phenyl-1,2,3,4-tetrahydroisoquino-linecarbonylchloride
  • (S)-1-Phenyl-3,4-dihydroisoquinoline-2(1H)-carbonyl chloride
  • (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
  • SCHEMBL1567218
  • SCHEMBL29924098
  • DB-200539
  • F94125

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