AG00IDBU

83799-24-0 | 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid

AG00IDBU

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CAS Number	83799-24-0
Catalog Number	AG00IDBU(AGN-PC-0UPGUP)
Chemical Name	2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
EC Number	801-893-7
IUPAC Name	2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
InChI	InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
InChI Key	RWTNPBWLLIMQHL-UHFFFAOYSA-N
MDL Number	MFCD00871892
Molecular Formula	C32H39NO4
Molecular Weight	501.6564
SMILES	CC(C(O)=O)(C1=CC=C(C(CCCN2CCC(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC2)O)C=C1)C
Synonyms	Allegra, alpha-(4-(1-carboxy-1-methylethyl)phenyl)-4-hydroxydiphenylmethyl-1-piperidinebutanol, fexofenadine, fexofenadine hydrochloride, MDL 16,455A, MDL 16.455, MDL 16455, MDL-16455, Telfast, fexofenadine, 83799-24-0, Carboxyterfenadine, Terfenadine carboxylate, Terfenadine-COOH, Terfenadine acid metabolite, Allegra, Fexofendine, Fexofenadine [INN:BAN], Telfast, HSDB 7486, MDL 16455, 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid, CHEMBL914, CHEBI:5050, 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid, RWTNPBWLLIMQHL-UHFFFAOYSA-N, AK-75768, Allegra-D 12 Hour, 2-(4-{1-HYDROXY-4-[4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-YL]BUTYL}PHENYL)-2-METHYLPROPANOIC ACID, 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid, Q-201113, 138452-21-8, 139965-10-9, 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid, 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid, Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, Telfast (TN), Fexofenadine (INN), MDL-16455, NCGC00015453-05, UNII-E6582LOH6V, SR-01000075889, piperidin-1-yl), Terfenidine carboxylate, MDL 16455, Spectrum_001914, Allegra-D 24 HOUR, AC1L1FQB, Spectrum2_001179, Spectrum3_001921, Spectrum4_000204, Spectrum5_001474, EC 801-893-7, F 9427, SCHEMBL4900, Lopac0_000488, BSPBio_003521, KBioGR_000807, KBioSS_002456, SPBio_001197, E6582LOH6V, GTPL4819, butyl)phenyl)-2-methylpropanoic, BDBM22874, CTK8F0592, KBio2_002449, KBio2_005017, KBio2_007585, KBio3_002742, HMS3261B17, HMS3370C16, BCP11806, Tox21_500488, BBL029080, MFCD00871892, STK624102, AKOS005557315, API0002698, BCP9000683, CCG-204579, DB00950, LP00488, MCULE-4193800017, VA10906, NCGC00015453-03, NCGC00015453-04, NCGC00015453-06, NCGC00015453-10, NCGC00092389-02, NCGC00092389-03, NCGC00092389-04, NCGC00261173-01, (+/-)-4-(1-Hydroxy-4-(4-(hydroxydiphenyl-methyl)-1- piperidinyl)butyl)-alpha-dimethylbenzeneacetic acid, AN-35997, AS-35188, CC-28419, LS-28827, SBI-0050472.P002, AX8130353, RT-012680, EU-0100488, FT-0626423, ST24047207, 5315-EP2281815A1, 5315-EP2289878A1, 5315-EP2295409A1, 5315-EP2301933A1, 5315-EP2305640A2, 5315-EP2308562A2, 5315-EP2311827A1, 5315-EP2314590A1, 5315-EP2371811A2, C06999, D07958, 2-(4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl), AB00876239_06, AB00876239_07, 439F408, 799F240, C-22951, L000869, SR-01000075889-1, BRD-A73368467-003-02-8, BRD-A73368467-003-07-7, 2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide, (+)-4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic-acid, 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid, 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidino}butyl)phenyl]-2-methylpropanoic acid, 2-[4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidyl]butyl]phenyl]-2-methyl-propanoic acid, 4-[4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha, alpha-dimethylbenzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl] -alpha,alpha-dimethylbenzeneacetic acid, 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylphenylacetic acid, 4-[4[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid, Benzeneacetic acid,4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethyl-, racemic 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid, (R)-Fexofenadine, FEXOFENADINE HYDROCHLORIDE, acid hydrochloride, (S)-Fexofenadine, Fastofen (TN), Allegra (TN), FEXOFENADINE HCL, Tilfur (TN), Fexofenidine hydrochloride, D01KPV, MDL 16455 hydrochloride, C32H39NO4, CID3348, Terfenidine carboxylate hydrochloride, C32-H39-N-O4, MFCD00865710, NSC 207895, 1711B, 153439-40-8, 139965-11-0, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetic acid, 58131-57-0,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	501.288g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	501.667g/mol
Monoisotopic Mass	501.288g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	81A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number