Chemical identity

Cinchonine Sulfate

CAS 5949-16-6 · C38H46N4O6S

01Identity

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

Lazychem IDLC-100825
PubChem CID11948449
NameCinchonine Sulfate
CAS RN5949-16-6
Molecular formulaC38H46N4O6S
Molecular weight686.9 g/mol
IUPAC namebis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol);sulfuric acid
InChIKeyWBBHOISPYYYBTC-SJFRDBBCSA-N

02Structure identifiers

2D structurePubChem CID 11948449
Two-dimensional chemical structure of Cinchonine Sulfate, CAS 5949-16-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 10 rings, includes aromatic atoms, includes aliphatic carbon, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Unassigned stereocentres2
Ring count10
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESC=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O
InChINot listed
Formula from structureC38H46N4O6S
Molecular weight from structure686.9 g/mol

03Stereochemistry

The published structure contains 8 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 5949-16-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 5949-16-6 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

No parent compound is listed.

Other names

  • Cinchonine sulfate
  • 5949-16-6
  • Cinchonine sulphate
  • Cinchonine sulfate [NF]
  • CINCHONINE, SULFATE (2:1) (salt)
  • Anhydrous cinchonine sulfate
  • Cinchonine sulfate anhydrous
  • UNII-342JR840KF
  • GNF-Pf-3189
  • Cinchoninum sulphuricum
  • TCMDC-123933
  • 342JR840KF

Related records from the same parent family

No related records are linked by parent name.

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