Chemical Properties of Vincamine (CAS 1617-90-9)

InChI

InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18?,20?,21-/m0/s1

InChI Key

RXPRRQLKFXBCSJ-MNLRITNHSA-N

Formula

C21H26N2O3

SMILES

CCC12CCCN3CCc4c(n(c5ccccc45)C(O)(C(=O)OC)C1)C32

Molecular Weight¹

354.44

CAS

1617-90-9

Other Names

• Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«beta»,16«alpha»)-
• (+)-Vincamine
• Decincan
• Devincan
• Devinkan
• Minorin
• Minorine
• Monorin
• Pervincamine
• Vincamin
• Anasclerol (base)
• Novicet
• Tripervan
• Vinca
• Vinca-Ecobi
• Vinca-Minor
• Vincachron
• Vincafolina
• Vincagil
• Vincamidol
• Vincapan
• Vincasaunier
• Vincimax
• Vinkametrin
• Vinodrel retard
• Anasclerol
• Angiopac
• Arteriovinca
• 14,15-Dihydro-14-hydroxyeburnamenine-14-carboxylic acid methyl ester
• Equipur
• Ocu-vinc
• Oxygeron
• Perval
• Pervone
• Vincadar
• Vincafor
• Vincapront
• Alkaloid obtained from Vinca minor
• 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.
• (+)-cis-Vincamine
• Methyl vincaminate
• cis-Vincamine
• (3«alpha»,14«beta»,16«alpha»)-14,15-Dihydro-14-hydroxyeburnamenine-14-carboxylic acid, methyl ester
• NSC-91998
• Sostenil
• Vincafarm
• Vincalen
• Vinvasaunier
• Vraap

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8481		Relay (1.0) Calculated Property
ΔfG°	24.98	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-412.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	129.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.41 ± 0.05	eV	NIST
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.953		Crippen Calculated Property
McVol	268.520	ml/mol	McGowan Calculated Property
Pc	1130.51	kPa	Relay (1.0-beta) Calculated Property
Inp	[2762.00; 2762.00]
Inp	2762.00		NIST
Inp	2762.00		NIST
Tboil	696.09	K	Relay (1.0) Calculated Property
Tc	1047.14	K	Relay (1.0) Calculated Property
Tfus	412.36	K	Relay (1.0) Calculated Property
Vc	1.014	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Vincamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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