AG002MJC

23210-58-4 | 1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)

AG002MJC

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CAS Number	23210-58-4
Catalog Number	AG002MJC(AGN-PC-00IQT2)
Chemical Name	1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)
EC Number	245-493-5
IUPAC Name	4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioic acid
InChI	InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(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*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChI Key	DMPRDSPPYMZQBT-CEAXSRTFSA-N
MDL Number	MFCD26142666
Molecular Formula	C46H60N2O10
Molecular Weight	800.9760
SMILES	OC(C3=CC=C(O)C=C3)C(C)N1CCC(CC2=CC=CC=C2)CC1.O=C(O)[C@H](O)[C@@H](O)C(O)=O.OC(C6=CC=C(O)C=C6)C(C)N4CCC(CC5=CC=CC=C5)CC4
UNII	89CTB4XUF7
Synonyms	2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol, 61 91 RC, ifenprodil, ifenprodil hydrochloride, ifenprodil hydrochloride, (+-)-isomer, ifenprodil tartrate, ifenprodil tartrate (1:1), (R*,S*)-(+-)-(R-(R*,R*))-isomer, ifenprodil tartrate (1:1), (R-(R*,R*))-isomer, ifenprodil tartrate (2:1), (R-(R*,R*))-isomer, ifenprodil, (R*,S*)-(+-)-isomer, ifenprodil, tartrate(R-(R*,R*))-isomer, Vadilex, ifenprodil tartrate, 23210-58-4, Ifenprodil (tartrate), UNII-89CTB4XUF7, 89CTB4XUF7, Ifenprodil L-(+)-tartrate, Cerocral (TN), EINECS 245-493-5, AC1LCV8S, Ifenprodil tartrate [JAN], Ifenprodil tartrate (JP17), SCHEMBL1650040, CHEBI:31688, AOB5665, Ifenprodil tartrate tablets (JP17), HY-12882A, AKOS026750052, Ifenprodil tartrate fine granules (JP17), FT-0670281, SW219376-1, D01445, 4-Benzyl-1-(beta,4-dihydroxy-alpha-methylphenethyl)piperidinium hydrogen tartrate, 1-Piperidineethanol, alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1), 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid, Cerocral, C21H27NO2.xC4H6O6, CID656586, CS-4195, C21-H27-N-O2.x-C4-H6-O6, B1623, 4-benzyl-1-[beta,4-dihydroxy-alpha-methylphenethyl]piperidinium hydrogen tartrate,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	800.425g/mol
Formal Charge	0
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	800.99g/mol
Monoisotopic Mass	800.425g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	203A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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