Ifenprodil tartrate

C25H33NO8CAS 23210-58-4475.54 g/mol

Open in Covalent MOL file
HOOHNOHOOHOHOOH
AlcoholCarboxylic acidPhenolTertiary amine

Properties

Molecular formula
C25H33NO8
Molar mass
475.54 g/mol
Exact mass
475.2206 Da
Melting point
178–180 °C
logP
1.65Crippen estimate
Polar surface area
158.8 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
8
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
23210-58-4
SMILES
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
FFYMSFGBEJMSFP-LREBCSMRSA-N
InChI
InChI=1S/C21H27NO2.C4H6O6/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

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Names and synonyms

5 names
  • 1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
  • 1-Piperidineethanol, 4-benzyl-α-(p-hydroxyphenyl)-β-methyl-, tartrate (salt)
  • 1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) (salt)
  • 1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
  • Ifenprodil L-(+)-tartrate

Work with Ifenprodil tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt (-)-Norepinephrine (+)-bitartrate51-40-1Salt

Similar compounds

(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-444 % similar 3-Amino-2-hydroxy-4-phenylbutanoic acid59554-14-242 % similar (-)-3-Phenyllactic acid20312-36-138 % similar (+)-3-Phenyllactic acid7326-19-438 % similar (+-)-3-Phenyllactic acid828-01-338 % similar (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid23508-35-238 % similar (+-)-3-(4-Hydroxyphenyl)lactic acid306-23-038 % similar Benzylmalonic acid616-75-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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