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Cytisine

CAS 485-35-8C11H14N2OMW 190.24

Cytisine (CAS 485-35-8) — formula C11H14N2O, molecular weight 190.24.

Specifications

CAS Number485-35-8
Molecular FormulaC11H14N2O
Molecular Weight190.24
Melting Point152-153
Boiling Point218
LogP0.2

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What this product is

Cytisine is a chemical compound with CAS registry number 485-35-8 and molecular formula C11H14N2O (molecular weight 190.24).

Identification

CAS number: 485-35-8

Its molecular formula C11H14N2O comprises 11 C, 14 H, 2 N, 1 O atoms.

Also known as: Cytisine

Frequently Asked Questions

What is the CAS number of Cytisine?

The CAS registry number of Cytisine is 485-35-8.

What is the molecular formula and molecular weight of Cytisine?

Molecular formula C11H14N2O, molecular weight 190.24.

What other names is Cytisine known by?

It is also registered under: Cytisine.

PubChem Public Data

Public-database records for Cytisine (CAS 485-35-8), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH301 (100%), H315 (90.8%), H319 (90.8%), H335 (89.5%)

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

H315 (90.8%): Causes skin irritation [Warning Skin corrosion/irritation]

Physical description and handling notes

  • Orthorhombic prisms from acetone
  • Solid
  • Soluble in 13 parts acetone, 1.3 parts methanol, 3.5 parts alcohol, 30 parts benzene, 10 parts ethyl acetone, 2.0 parts chloroform; practically insoluble in petroleum ether
  • Soluble in 1.3 parts water
  • Needles or leaflets. Specific optical rotation: -81.5 deg at 25 °C/D; soluble in water, slightly soluble in alcohol; practically insoluble in ether /Cytisine nitrate monohydrate/
  • Specific optical rotation: -120 deg at 17 °C/D

Reported physical properties

沸点218
沸点BP: 218 °C at 2 mm Hg
熔点152-153
熔点152-153 °C (sublimes)
熔点MP: 155 °C
溶解度In water, 4.39X10+5 mg/L at 16 °C
Dissociation ConstantspK1 = 6.11; pK2 = 13.08

How this substance is indexed

CAS Registry Number485-35-8
PubChem CID10235
分子式C11H14N2O
IUPAC 名称(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
UNII(FDA)53S5U404NU

Documented uses

  • Formerly used as an antitussive and antiemetic
  • Cytisine was obtained from Laburnum anagyroides by extraction of the powdered dry seeds with ethyl alcohol-hydrochloric acid, distillation of the alcohol, dilution with water, filtration, and precipitation of the alkaloid with Mayer's reagent.
  • The isolation and identification of cytisine is described.
  • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-: ACTIVE
  • Toxic principle in seed of Laburnum anagyroides Medik /golden chain tree/, and other Leguminosae.
  • Tabex contains cytisine and is used to aid chronic smokers in abstaining from smoking. Total abstentation occurred in 65.1% of the subjects.

Names this substance appears under

CYTISINE; 485-35-8; Baptitoxine; Cytisinicline; Sophorine; Baptitoxin; Cytiton; Laburnin; Ulexine; Ulexin; Cytitone; Citizin; Cystisine; Cytizin; (1r,5s)-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido[1,2-A][1,5]diazocin-8-One; 6039 Sopharma

Computed molecular descriptors

分子量190.24
XLogP30.2
氢键供体数1
氢键受体数2
可旋转键数0
精确质量190.110613074
单同位素质量190.110613074
拓扑极性表面积32.3
重原子数14
形式电荷0

Database abstract

Cytisine · CAS 485-35-8 · C11H14N2O. UNII 53S5U404NU. 沸点: 218; 沸点: BP: 218 °C at 2 mm Hg; 熔点: 152-153.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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