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Details

Stereochemistry RACEMIC
Molecular Formula C32H41NO2
Molecular Weight 471.6734
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERFENADINE

SMILES

CC(C)(C)C1=CC=C(C=C1)C(O)CCCN2CCC(CC2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=GUGOEEXESWIERI-UHFFFAOYSA-N
InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C32H41NO2
Molecular Weight 471.6734
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:28 UTC 2023
Edited
by admin
on Fri Dec 15 16:20:28 UTC 2023
Record UNII
7BA5G9Y06Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERFENADINE
EP   HSDB   INN   JAN   MART.   MI   USAN   USP-RS   VANDF   WHO-DD  
INN   USAN  
Official Name English
TERFENADINE [MART.]
Common Name English
NSC-758627
Code English
Terfenadine [WHO-DD]
Common Name English
SELDANE
Brand Name English
TERFENADINE [EP MONOGRAPH]
Common Name English
TERFENADINE [MI]
Common Name English
TERFENADINE [JAN]
Common Name English
TERFENADINE [HSDB]
Common Name English
α-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
Common Name English
TERFENADINE [USAN]
Common Name English
RMI 9918
Code English
NSC-665802
Code English
terfenadine [INN]
Common Name English
TERFENADINE [VANDF]
Common Name English
1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-
Systematic Name English
TERFENADINE [EP IMPURITY]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
WHO-ATC R06AX12
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
WHO-VATC QR06AX12
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
LIVERTOX 939
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
Code System Code Type Description
MESH
D016593
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
ECHA (EC/EINECS)
256-710-8
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
NSC
758627
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
WIKIPEDIA
Terfenadine
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
CAS
50679-08-8
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
EVMPD
SUB10920MIG
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
NCI_THESAURUS
C29494
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
INN
3674
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
FDA UNII
7BA5G9Y06Q
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
RXCUI
42330
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
2600
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL17157
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
NSC
665802
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
MERCK INDEX
m10576
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY Merck Index
SMS_ID
100000082708
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
IUPHAR
2608
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
PUBCHEM
5405
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID2023642
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
DRUG BANK
DB00342
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
HSDB
6508
Created by admin on Fri Dec 15 16:20:28 UTC 2023 , Edited by admin on Fri Dec 15 16:20:28 UTC 2023
PRIMARY
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CYTOCHROME P450 2D6
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CYTOCHROME P450 2D6
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POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2
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CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
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Structure of 2-(4-(4-(4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-YL)BUTANOYL)PHENYL)-2-METHYLPROPANOIC ACID
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Related Record Type Details
Structure of 1-((4RS)-4-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-HYDROXYBUTYL)PIPERIDINE-4-CARBOXYLIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(4-(HYDROXYDIPHENYLMETHYL)PIPERIDIN-1-YL)BUTAN-1-ONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (1RS)-1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(4-(DIPHENYLMETHYLENE)PIPERIDIN-1-YL)BUTAN-1-OL
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EP
Structure of 1-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)BUT-3-ENYL)-4-(DIPHENYLMETHYLENE)PIPERIDINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (1-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)BUTYL)PIPERIDIN-4-YL)DIPHENYLMETHANOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (1-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)BUT-3-ENYL)PIPERIDIN-4-YL)DIPHENYLMETHANOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ETHYL 1-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-HYDROXYBUTYL)PIPERIDINE-4-CARBOXYLATE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (1RS)-1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(4-(DIPHENYLMETHYL)PIPERIDIN-1-YL)BUTAN-1-OL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of AZACYCLONOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
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Structure of 1-((4RS)-4-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-HYDROXYBUTYL)-4-(HYDROXYDIPHENYLMETHYL)PIPERIDINE 1-OXIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of TERFENADINE
ACTIVE MOIETY
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