Chemical identity

Catharanthine

CAS 2468-21-5 · C21H24N2O2

01Identity

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

Lazychem IDLC-31552
PubChem CID5458190
NameCatharanthine
CAS RN2468-21-5
Molecular formulaC21H24N2O2
Molecular weight336.4 g/mol
IUPAC nameMethyl (1R, 15R, 18R)-17-ethyl-3, 13-diazapentacyclo[13.3.1.02, 10.04, 9.013, 18]nonadeca-2(10), 4, 6, 8, 16-pentaene-1-carboxylate
InChIKeyCMKFQVZJOWHHDV-NQZBTDCJSA-N

02Structure identifiers

2D structurePubChem CID 5458190
Two-dimensional chemical structure of Catharanthine, CAS 2468-21-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres1
Ring count6
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChINot listed
Formula from structureC21H24N2O2
Molecular weight from structure336.4 g/mol

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 2468-21-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2468-21-5 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

  • (+)-3, 4-Didehydrocoronaridine
  • (6R, 6aR, 9R, 11R)-Methyl7-ethyl-6, 6a, 9, 10, 12, 13-hexahydro-5H-6, 9-methanopyrido[1', 2':1, 2]azepino[4, 5-b]indole-6-carboxylate
  • Methyl (2-alpha, 5-beta, 6-alpha, 18-beta)-3, 4-didehydroibogamine-18-carboxylate

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