Compound Summary
Compound Information
terfenadine
Compound Name: | terfenadine |
Compound CID: | 5405 |
Synonyms: | terfenadine 50679-08-8 Seldane Ternadin Triludan More... |
Iupac Name: | 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol |
InChI: | 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 |
InChIKey: | GUGOEEXESWIERI-UHFFFAOYSA-N |
Canonical Smiles: | CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
Isomeric Smiles: | CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
Molecular Weight: | 471.7 |
Molecular Formula: | C32H41NO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
terfenadine
Molecular Weight: | 471.7 |
Molecular Formula: | C32H41NO2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 35 |
Complexity: | 582 |
Synonyms
terfenadine
| terfenadine | terfenadine |
|---|---|
terfenadine |
50679-08-8 |
Seldane |
Ternadin |
Triludan |
Teldane |
Allerplus |
Teldanex |
Aldaban |
Terdin |
Terfenadina |
RMI 9918 |
RMI-9918 |
1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol |
1-(4-tert-butylphenyl)-4-4-hydroxy(diphenyl)methylpiperidin-1-ylbutan-1-ol |
alpha-4-(1,1-Dimethylethyl)phenyl-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
MDL-9918 |
MFCD00079622 |
CHEMBL17157 |
MLS000028499 |
CHEBI:9453 |
Cyater |
Terfen |
alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
1-Piperidinebutanol, .alpha.-4-(1,1-dimethylethyl)phenyl-4-(hydroxydiphenylmethyl)- |
NCGC00016064-04 |
NCGC00016064-06 |
Terfenadinum |
SMR000058260 |
Terfex |
DSSTox_CID_3642 |
1-(4-tert-butylphenyl)-4-4-(hydroxydiphenylmethyl)piperidin-1-ylbutan-1-ol |
1-(4-(tert-Butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butan-1-ol |
DSSTox_RID_77124 |
DSSTox_GSID_23642 |
Terfenadinum INN-Latin |
Terfenadina INN-Spanish |
C32H41NO2 |
1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol |
MDL 9918 |
alpha-(4-1,1-Dimethylethylphenyl)-4-hydroxydiphenylmethyl-1-piperidinebutanol |
Seldane (TN) |
HSDB 6508 |
SR-01000000104 |
EINECS 256-710-8 |
BRN 5857899 |
teraenadine |
UNII-7BA5G9Y06Q |
Terfenadin |
Terfenadine (JAN/USAN/INN) |
Terfenadine,(S) |
(-)-Terfenadine |
alpha-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
Prestwick_460 |
1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)piperidino)-butan-1-ol |
1-(p-tert-Butylphenyl)-4-(4-(alpha-hydroxydiphenylmethyl)-1-piperidyl)butanol |
CAS-50679-08-8 |
1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)- |
Terfenadine USAN:USP:INN:BAN:JAN |
Opera_ID_334 |
Prestwick0_000138 |
Prestwick1_000138 |
Prestwick2_000138 |
Prestwick3_000138 |
(.+/-.)-Terfenadine |
T 9652 |
SCHEMBL5152 |
Lopac0_001213 |
Oprea1_343139 |
BSPBio_000216 |
MLS001148415 |
DivK1c_001011 |
SPBio_002155 |
7BA5G9Y06Q |
BPBio1_000238 |
GTPL2608 |
DTXSID2023642 |
HMS503K03 |
KBio1_001011 |
MDL-991 |
NINDS_001011 |
HMS1568K18 |
HMS2089I14 |
HMS2093I11 |
HMS2095K18 |
HMS2231N07 |
HMS3263D08 |
HMS3373J07 |
HMS3712K18 |
Pharmakon1600-01503708 |
HY-B1193 |
Tox21_110295 |
Tox21_110296 |
Tox21_501213 |
AC-928 |
BDBM50017376 |
NSC665802 |
NSC758627 |
s4353 |
AKOS015962091 |
Tox21_110295_1 |
CCG-205287 |
CS-4800 |
DB00342 |
LP01213 |
MCULE-8216311776 |
NSC 665802 |
NSC 758627 |
NSC-665802 |
NSC-758627 |
SDCCGSBI-0051180.P004 |
VA11848 |
1-(4-tert-butylphenyl)-4-4-hydroxy(diphenyl)methyl-1-piperidylbutan-1-ol |
1-4-(1,1-dimethylethyl)phenyl-4-{4-hydroxy(diphenyl)methylpiperidin-1-yl}butan-1-ol |
IDI1_001011 |
NCGC00016064-03 |
NCGC00016064-05 |
NCGC00016064-08 |
NCGC00016064-09 |
NCGC00016064-12 |
NCGC00016064-19 |
NCGC00089746-02 |
NCGC00089746-03 |
NCGC00089746-04 |
NCGC00261898-01 |
( inverted exclamation markA)-Terfenadine |
AC-15791 |
AS-75636 |
BT166253 |
NCI60_022784 |
SBI-0051180.P003 |
DB-051821 |
AB00052367 |
EU-0101213 |
FT-0630637 |
ST50307835 |
SW196677-3 |
BIM-0051180.0001 |
C07463 |
D00521 |
D82079 |
AB00052367-16 |
AB00052367_17 |
AB00052367_18 |
A828247 |
L000888 |
Q417909 |
( inverted exclamation markA)-Terfenadine;MDL-991 |
( inverted exclamation markA)-Terfenadine;MDL-9918 |
SR-01000000104-2 |
SR-01000000104-4 |
SR-01000000104-7 |
BRD-A06352418-001-03-6 |
BRD-A06352418-001-15-0 |
Terfenadine, European Pharmacopoeia (EP) Reference Standard |
Terfenadine, United States Pharmacopeia (USP) Reference Standard |
.alpha.-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
1-4-(tert-butyl)phenyl-4-4-(hydroxydiphenylmethyl)piperidylbutan-1-ol |
(+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol |
(RS)-1-(4-tert-butylphenyl)-4-{4-hydroxy(diphenyl)methylpiperidin-1-yl}-butan-1-ol |
.alpha.-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenyl-methyl)-1-piperidine butanol |
.alpha.-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
1-(4-tert-Butyl-phenyl)-4-4-(hydroxy-diphenyl-methyl)-piperidin-1-yl-butan-1-ol |
1-(4-tert-Butylphenyl)-4-(4-hydroxy(diphenyl)methyl-1-piperidinyl)-1-butanol # |
1-(4-tert-butylphenyl)-4-4-hydroxy-di(phenyl)methylpiperidin-1-ylbutan-1-ol |
a-4-(1,1-Dimethylethyl)phenyl-4-(hydroxydiphenylmethyl)-1-piperidinebutanol |
1-(4-tert-Butyl-phenyl)-4-4-(hydroxy-diphenyl-methyl)-piperidin-1-yl-butan-1-ol(Terfenadine) |
Experimental Data
terfenadine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 43 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
terfenadine
Statistics Data
terfenadine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 43 | 1 | 1 |
Statistics Data Visualization
terfenadine
