
No data
No data
No data
| CAS Number | 97322-87-7 |
| Catalog Number | AG00JNLA(AGN-PC-05FXSB) |
| Chemical Name | Troglitazone |
| IUPAC Name | 5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28) |
| InChI Key | GXPHKUHSUJUWKP-UHFFFAOYSA-N |
| MDL Number | MFCD00878416 |
| Molecular Formula | C24H27NO5S |
| Molecular Weight | 441.5399 |
| SMILES | O=C(SC1CC2=CC=C(OCC3(CCC4=C(O3)C(C)=C(C)C(O)=C4C)C)C=C2)NC1=O |
| Synonyms | 5-(4-((6-Hydroxy-2,5,7,8-tetramethylchroman-2-yl-methoxy)benzyl)-2,4-thiazolidinedione) - T,
CS 045,
CS-045,
CS045,
Prelay,
Rezulin,
troglitazone,
troglitazone,
Rezulin,
97322-87-7,
Romglizone,
Prelay,
CS-045,
Romozin,
Noscal,
CS 045,
Rezulin (TN),
GR 92132X,
CCRIS 8969,
GR92132X,
CI 991,
CI-991,
GR-92132X,
C24H27NO5S,
CHEBI:9753,
(+-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione,
5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione,
CS045,
Troglitazone (CS-045),
BRN 4338399,
GXPHKUHSUJUWKP-UHFFFAOYSA-N,
(+/-)-5-[4-[(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy]benzyl]-2,4-thiazolidinedione,
NCGC00164445-01,
DSSTox_CID_3719,
DSSTox_RID_77162,
DSSTox_GSID_23719,
2,4-Thiazolidinedione, 5-((4-((3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-,
5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione,
5-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methoxy]benzyl}-1,3-thiazolidine-2,4-dione,
troglitazona,
troglitazonum,
Resulin,
BDBM50101974,
5-(4-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy)benzyl)thiazolidine-2,4-dione,
5-[(4-{[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methyl]oxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione,
CAS-97322-87-7,
Troglitazone [USAN:BAN:INN],
SR-05000000454,
5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione,
Troglitazone (JAN/USAN/INN),
Troglitazone [USAN:INN:BAN],
resulin(tm),
5-[4-(6-hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl]thiazolidine-2,4-dione,
2,4-thiazolidinedione, 5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-,
AC1L1KOT,
Spectrum5_001973,
ci991,
UPCMLD-DP017,
SCHEMBL4959,
5-(4-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl-methoxy)benzyl)-2,4-thiazolidinedione),
MLS006010817,
GTPL2693,
CHEMBL3542292,
DTXSID8023719,
UPCMLD-DP017:001,
UPCMLD-DP017:002,
CTK7H5564,
KS-00001DVG,
Troglitazone, >=98% (HPLC),
HMS2089D22,
HMS2093D04,
HMS3649G12,
HMS3713D08,
BCP06753,
Tox21_112119,
Tox21_300470,
BDBM50088494,
BG0468,
GP8940,
HSCI1_000037,
s8432,
AKOS000281116,
AKOS024457434,
Tox21_112119_1,
API0004529,
CCG-208125,
CS-1634,
DB00197,
VA11909,
enzopyran-2-yl)methoxy)phenyl)methyl)-,
SMP2_000224,
NCGC00161599-01,
NCGC00161599-02,
NCGC00161599-03,
NCGC00161599-04,
NCGC00161599-05,
NCGC00161599-06,
NCGC00161599-07,
NCGC00161599-08,
NCGC00161599-09,
NCGC00161599-11,
NCGC00254440-01,
AK307955,
AN-34774,
BC686826,
CC-35518,
HY-50935,
K752,
SC-46000,
SMR001550129,
AB0125513,
LS-151313,
FT-0630994,
D00395,
18524-EP2269989A1,
18524-EP2270011A1,
18524-EP2272825A2,
18524-EP2272841A1,
18524-EP2275414A1,
18524-EP2295409A1,
18524-EP2298742A1,
18524-EP2301936A1,
18524-EP2305219A1,
18524-EP2305648A1,
18524-EP2308847A1,
18524-EP2314576A1,
18524-EP2314588A1,
AB00643330-02,
322T877,
C-22371,
I14-1977,
SR-05000000454-2,
SR-05000000454-3,
SR-05000000454-5,
BRD-A13084692-001-02-5,
2,4-thiazolidinedione,5-((4-((3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2h-1-b,
5-(4-(6-hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,
5-[4-(6-hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl]-2,4-dioxothiazolidine,
5-[4-(6-hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl]thiazolidine -2,4-dione,
(5R)-5-[[4-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl]methoxy]phenyl]methyl]thiazolidine-2,4-dione,
2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]- (9CI),
2,4-Thiazolidinedione,5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-,
5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1- benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazlidinedione,
5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione,
5-[[4-[(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione,
5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-ylmethoxy)benzyl]thiazolidine-2,4-dione,
5-{4-(6-hydroxy-2, 5, 7, 8-tetramethylchroman-2-yl-methoxy) benzyl) thiazolidine-2,4-dione,
5-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl)methoxy]benzyl}-1,3-thiazolidin-2,4-dion,
Resulin (TN),
Romozin (TN),
UNII-I66ZZ0ZN0E,
CHEMBL408,
D06XZW,
I66ZZ0ZN0E,
CID5591,
Parke Davis brand of troglitazone,
C24-H27-N-O5-S,
Warner-Lambert brand of troglitazone,
2-Bromo-2',4'-difluoroacetophenone,
C057693,
D000077288,
(+-)-5-[4-[(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy]benzyl]-2,4-thiazolidinedione,
2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-(9CI),
5-(4-((6-Hydroxy-2,5,7,8-tetramethylchroman-2-yl-methoxy)benzyl)-2,4-thiazolidinedione) - T,
|
| Complexity | 681 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.542g/mol |
| Monoisotopic Mass | 441.161g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

