
无数据
无数据
无数据
| CAS Number | 50679-08-8 |
| Catalog Number | AG003UIK(AGN-PC-0S8SWP) |
| Chemical Name | Terfenadine |
| EC Number | 256-710-8 |
| 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 |
| InChI Key | GUGOEEXESWIERI-UHFFFAOYSA-N |
| MDL Number | MFCD00079622 |
| Molecular Formula | C32H41NO2 |
| Molecular Weight | 471.6734 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C(CCCN1CCC(CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)O)O |
| Synonyms | alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperdinebutanol,
Balkis Saft Spezial,
Cyater,
Hisfedin,
Rapidal,
RMI 9918,
RMI-9918,
RMI9918,
Seldane,
Teldane,
Terfedura,
Terfemundin,
Terfenadin AL,
Terfenadin Heumann,
Terfenadin Ratiopharm,
Terfenadin Stada,
terfenadin von ct,
Terfenadin-ratiopharm,
Terfenadine,
Terfenidine,
Ternadin,
Triludan,
terfenadine,
50679-08-8,
Seldane,
Ternadin,
Triludan,
Teldane,
Allerplus,
Teldanex,
Aldaban,
Terdin,
Terfenadina,
Terfenadinum,
Cyater,
Terfen,
Terfex,
RMI 9918,
RMI-9918,
Terfenadinum [INN-Latin],
Terfenadina [INN-Spanish],
MDL 9918,
C32H41NO2,
HSDB 6508,
MDL-9918,
EINECS 256-710-8,
MFCD00079622,
BRN 5857899,
alpha-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol,
CHEMBL17157,
MLS000028499,
CHEBI:9453,
GUGOEEXESWIERI-UHFFFAOYSA-N,
alpha-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol,
1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)piperidino)-butan-1-ol,
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol,
1-(p-tert-Butylphenyl)-4-(4'-(alpha-hydroxydiphenylmethyl)-1'-piperidyl)butanol,
alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol,
1-Piperidinebutanol, .alpha.-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-,
1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-,
Seldane-D,
NCGC00016064-04,
NCGC00016064-06,
SMR000058260,
DSSTox_CID_3642,
1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol,
DSSTox_RID_77124,
DSSTox_GSID_23642,
1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol,
1-(4-(tert-Butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butan-1-ol,
1-(4-(tert-butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol,
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butan-1-ol,
alpha-(4-[1,1-Dimethylethyl]phenyl)-4-[hydroxydiphenylmethyl]-1-piperidinebutanol,
Seldane (TN),
SR-01000000104,
Terfenadine [USAN:BAN:INN:JAN],
teraenadine,
UNII-7BA5G9Y06Q,
Terfenadin,
Terfenadine (JAN/USAN/INN),
Terfenadine,(S),
(-)-Terfenadine,
Prestwick_460,
CAS-50679-08-8,
Terfenadine [USAN:USP:INN:BAN:JAN],
Opera_ID_334,
AC1Q1LZA,
Prestwick0_000138,
Prestwick1_000138,
Prestwick2_000138,
Prestwick3_000138,
(.+/-.)-Terfenadine,
T 9652,
AC1L1KA8,
SCHEMBL5152,
alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperdinebutanol,
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,
BG0333,
NSC665802,
NSC758627,
AKOS015962091,
Tox21_110295_1,
API0024492,
CCG-205287,
CS-4800,
DB00342,
LP01213,
MCULE-8216311776,
NSC-665802,
NSC-758627,
VA11848,
1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol,
ACM50679088,
IDI1_001011,
NCGC00016064-03,
NCGC00016064-05,
NCGC00016064-08,
NCGC00016064-09,
NCGC00016064-12,
NCGC00089746-02,
NCGC00089746-03,
NCGC00089746-04,
NCGC00261898-01,
( inverted exclamation markA)-Terfenadine,
AC-15791,
AN-41415,
CC-34708,
NCI60_022784,
SBI-0051180.P003,
LS-114369,
AB00052367,
EU-0101213,
FT-0630637,
ST50307835,
SW196677-3,
BIM-0051180.0001,
C07463,
D00521,
AB00052367-16,
AB00052367_17,
AB00052367_18,
C-22717,
L000888,
( 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,
I14-107294,
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)piperidyl]butan-1-ol,
(+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol,
(RS)-1-(4-tert-butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-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)methyl]piperidin-1-yl]butan-1-ol,
1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol(Terfenadine),
Nebralin,
Terfenidine,
Terfemundin,
Hisfedin,
Terfedura,
Rapidal,
Terfenadin AL,
Terfenadin Stada,
Terestigmine,
Treludan,
terfenadin von ct,
Terfenadin Heumann,
Balkis Saft Spezial,
Terfenadin-ratiopharm,
racemic terfenadine,
Triludan (TN),
Teldane (TN),
Terfenadin Ratiopharm,
Bial Brand of Terfenadine,
Aliud Brand of Terfenadine,
D08SOF,
Wolff Brand of Terfenadine,
Heumann Brand of Terfenadine,
Hoechst Brand of Terfenadine,
Cantabria Brand of Terfenadine,
Dolorgiet Brand of Terfenadine,
RMI9918,
ratiopharm Brand of Terfenadine,
Sigma Tau Brand of Terfenadine,
Sigma-Tau Brand of Terfenadine,
Stadapharm Brand of Terfenadine,
Merck dura Brand of Terfenadine,
Mundipharma Brand of Terfenadine,
CID5405,
Terfenadine [USAN:INN:BAN:JAN],
ct Arzneimittel Brand of Terfenadine,
ct-Arzneimittel Brand of Terfenadine,
C32-H41-N-O2,
CS-O-30790,
D016593,
C1CN(CCCC(O)c2ccc(cc2)C(C)(C)C)CCC1C(O)(c3ccccc3)c4ccccc4,
?-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol,
1-(p-tert-butylphenyl)-4-[4'-(alpha-hydroxydiphenylmethyl)-1'-piperidyl]butanol,
Alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenyl-methyl)-1-piperidine butanol,
|
| Complexity | 582 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 471.314g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.685g/mol |
| Monoisotopic Mass | 471.314g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
| Symbol: | |
| Hazard Class | 9 |
| Hazard statements | H413 |
| Packing Group | Ⅲ |
| Precautionary statements | P273 |
| UN Code | UN 3077 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

