Cas no 2468-21-5 (Catharanthine)

Catharanthine structure
Catharanthine structure
Product Name:Catharanthine
CAS No:2468-21-5
MF:C21H24N2O2
MW:336.4275
MDL:MFCD01753356
CID:43024
PubChem ID:5458190
Update Time:2024-10-30

Catharanthine Chemical and Physical Properties

Names and Identifiers

    • Catharanthine
    • (+)-CATHRANTHINE
    • (+)-3,4-Didehydrocoronaridine
    • CatharanthineTartrate
    • EpimedinA
    • (2α,5β,6α,18β)-3,4-Didehydroibogamine-18-carboxylic acid methyl ester
    • catharanthin
    • Catharanthine Sulphate
    • CatharanthineSulfateBase
    • catharantine
    • catharinthine
    • catharintine
    • Vincaleukoblastine
    • Catharanthine Tartrat
    • Methyl (2alpha,5beta,6alpha)-3,4-didehydroibogamine-18beta-carboxylate
    • NSC102004
    • CATHARANTHINE HCL
    • Oprea1_075759
    • Catharanthine, monohydrochloride
    • CMKFQVZJOWHHDV-UHFFFAOYSA-N
    • STK370495
    • Methyl 3,4-dide
    • Q-100319
    • CCG-220187
    • AC-34053
    • SW198653-2
    • CHEBI:3469
    • AB01566866_01
    • CATHARANTHINE [MI]
    • NSC823867
    • Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2-alpha,5-beta,6-alpha,18-beta)-
    • (+)-Catharanthine
    • (6R,6aR,9R,11R)-Methyl 7-ethyl-6,6a,9,10,12,13-hexahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole-6-carboxylate
    • IBOGAMINE-18-CARBOXYLIC ACID, 3,4-DIDEHYDRO-, METHYL ESTER,(2.ALPHA.,5.BETA.,6.ALPHA.,18.BETA.)-
    • (+)-3, 4-Didehydrocoronaridine
    • HMS2095F15
    • Catharanthine Base
    • (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
    • Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2alpha,5beta,6alpha,18beta)-
    • Catharanthine, >=95% (HPLC)
    • NSC-823867
    • EINECS 219-586-6
    • HMS3652A13
    • WT0YJV846J
    • MFCD01753356
    • CHEMBL2163793
    • DTXSID80947621
    • UNII-WT0YJV846J
    • s3202
    • NS00018340
    • 1ST168797
    • Methyl (2-alpha,5-beta,6-alpha,18-beta)-3,4-didehydroibogamine-18-carboxylate
    • 2468-21-5
    • HMS3712F15
    • HMS3885K13
    • methyl (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
    • Catharanthine, (+)-
    • AKOS024463388
    • CMKFQVZJOWHHDV-NQZBTDCJSA-N
    • BDBM50396009
    • Catharantin; Catharanthine
    • BRD-K92377961-001-02-9
    • Catharanthine (free base)
    • BRD-K92377961-001-03-7
    • MDL： MFCD01753356
    • Inchi： 1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3
    • InChI Key： CMKFQVZJOWHHDV-UHFFFAOYSA-N
    • SMILES： O(C([H])([H])[H])C(C12C3=C(C4=C([H])C([H])=C([H])C([H])=C4N3[H])C([H])([H])C([H])([H])N3C([H])([H])C([H])(C([H])=C(C([H])([H])C([H])([H])[H])C31[H])C2([H])[H])=O

Computed Properties

  • Exact Mass: 336.18400
  • Monoisotopic Mass: 336.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 603
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 45.3
  • Molecular Weight: 336.4
  • XLogP3: 2.8

Experimental Properties

  • Color/Form: White powder
  • Density: 1.1367 (rough estimate)
  • Melting Point: 126-128°C
  • Boiling Point: 491.5°C at 760 mmHg
  • Flash Point: 251.1oC
  • Refractive Index: 1.6500 (estimate)
  • Solubility: DMSO: soluble5mg/mL (clear solution; warmed)
  • PSA: 45.33000
  • LogP: 3.11320
  • pka: 6.8(at 25℃)
  • Specific Rotation: +30 to +38° (c=0.5, CDCl3)
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Catharanthine Security Information

Catharanthine Pricemore >>

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