Chemical Properties of Isradipine (CAS 75695-93-1)

InChI

InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3

InChI Key

HMJIYCCIJYRONP-UHFFFAOYSA-N

Formula

SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12

Molecular Weight¹

371.39

CAS

75695-93-1

Other Names

3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester, (.+/-.)-
Isopropyl methyl (.+/-.)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
DynaCirc
Isrodipine
Clivoten
Dynacrine
Esradin
Isopropyl methyl (.+/-.)-4-(4-benzfurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Lomir
PN-200-110
Prescal
Rebriden
(.+/-.)-Isradipine
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
DynaCire
DynaCire CR
Isradipin
PN 200

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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7798		Relay (1.0) Calculated Property
Δ_fG°	-29.63	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-416.62	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	112.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) Calculated Property
log₁₀WS	-4.29		Relay (1.0) Calculated Property
logP_oct/wat	2.582		Crippen Calculated Property
McVol	270.880	ml/mol	McGowan Calculated Property
P_c	1473.50	kPa	Relay (1.0-beta) Calculated Property
I_np	2578.89		NIST
T_boil	658.61	K	Relay (1.0) Calculated Property
T_c	986.54	K	Relay (1.0) Calculated Property
T_fus	442.36	K	Relay (1.0) Calculated Property
V_c	0.982	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Nalmefene.

Strychnine.

3-O,6-O,N-Triacetylnormorphine.

Benzylmorphine.

Nicocodine.

Buprenorphine.

Dihydroergokryptine.

Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-.

[2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-.

Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester).

Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Deserpidine.

Paclitaxel.

Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-.

Ergotamine.

Find more compounds similar to Isradipine.

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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