Ifenprodil

HCID 3689CAS 23210-56-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIKey: UYNVMODNBIQBMV-UHFFFAOYSA-N
Molecular formula: C21H27NO2
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.2041791

Names & identifiers

Preferred name: Ifenprodil
IUPAC: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
English name: Ifenprodil
Molecular formula: C21H27NO2
Molecular weight: 325.45

Names & synonyms

Ifenprodil23210-56-2Vadilex4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenolIfenprodilum4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenolRC 61-91DTXSID2045656RC-61-91R8OE3P6O5SNP-1204-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol

Show more names

Ifenprodil, 10 mM in DMSO2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propan-1-ol1-(4-Hydroxyphenyl)-2-(4-benzylpiperidino)-1-propanol4-[2-[4-(benzyl)-1-piperidyl]-1-hydroxy-propyl]phenol4-Benzyl-α-(p-hydroxyphenyl)-β-methyl-1-piperidineethanol4-[1-Hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol

2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propanolDTXCID00256561-Piperidineethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine ethanolRefChem:147729C04AX282-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol245-491-4

Database identifiers

CAS: 23210-56-2
PubChem CID: 3689
DTXSID: DTXSID2045656
ChEMBL: CHEMBL305187
ChEBI: CHEBI:93829
UNII: R8OE3P6O5S
EC Number: 245-491-4
Nikkaji: J11.459F

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 353

Physicochemical properties

Melting point: 114 ° · 114°
Boiling point: 463.62 °C · 463.62°C (rough estimate)
Density: 1.0825 · 1.0825 (rough estimate)
refractive index: 1.5614 · 1.5614 (estimate)
storage temp.: Store at RT
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.99 · 9.99±0.26(Predicted)
color: White to Off-White
Water Solubility: 15 mM · Soluble to 15 mM in water with gentle warming
FDA UNII: 8 OE3P6O5S · R8OE3P6O5S
ATC code: 4 AX28 · C04AX28
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312a-P330-P501a
Toxicity: 50 oral · LD50 oral in mouse: 320mg/kg

Safety & regulation

Safety data

Toxicity: LD50 oral in mouse: 320mg/kg
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312a-P330-P501a

Chemistry & industry

Pharmacology

ATC Code · 2 items

C - Cardiovascular system；C04 - Peripheral vasodilators；C04A - Peripheral vasodilators；C04AX - Other peripheral vasodilators；C04AX28 - Ifenprodil

QC - Cardiovascular system；QC04 - Peripheral vasodilators；QC04A - Peripheral vasodilators；QC04AX - Other peripheral vasodilators；QC04AX28 - Ifenprodil

MeSH Pharmacological Classification · 3 items

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

Drugs used to cause dilation of the blood vessels.

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.