![Chemical structure of L-Thyroxine-[l-tyr-ring-13c6] hydrochloride, CAS 51-48-9](https://api.angenesci.com/structure/2337/51-48-9.png)
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| CAS Number | 51-48-9 |
| Catalog Number | AG0038OW(AGN-PC-0WADMC) |
| Chemical Name | L-Thyroxine-[l-tyr-ring-13c6] hydrochloride |
| IUPAC Name | (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid |
| InChI | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 |
| InChI Key | XUIIKFGFIJCVMT-LBPRGKRZSA-N |
| MDL Number | MFCD00002595 |
| Molecular Formula | C15H11I4NO4 |
| Molecular Weight | 776.8700 |
| NSC Number | 757434 |
| SMILES | OC1=C(C=C(C=C1I)OC1=C(C=C(C[C@H](N)C(=O)O)C=C1I)I)I |
| UNII | Q51BO43MG4 |
| Synonyms | 3,5,3',5'-Tetraiodothyronine,
Berlthyrox,
Dexnon,
Eferox,
Eltroxin,
Eltroxine,
Euthyrox,
Eutirox,
L Thyrox,
L Thyroxin beta,
L Thyroxin Henning,
L Thyroxine,
L Thyroxine Roche,
L-3,5,3',5'-Tetraiodothyronine,
L-Thyrox,
L-Thyroxin beta,
L-Thyroxin Henning,
L-Thyroxine,
L-Thyroxine Roche,
Lévothyrox,
Levo T,
Levo-T,
Levothroid,
Levothyroid,
Levothyroxin Deladande,
Levothyroxin Delalande,
Levothyroxine,
Levothyroxine Sodium,
Levoxine,
Levoxyl,
Novothyral,
Novothyrox,
O-(4-Hydroxy-3,5-diiodophenyl) 3,5-diiodo-L-tyrosine,
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine,
Oroxine,
Sodium Levothyroxine,
Synthroid,
Synthrox,
T4 Thyroid Hormone,
Thevier,
Thyrax,
Thyroid Hormone, T4,
Thyroxin,
Thyroxine,
Tiroidine,
Tiroxina Leo,
Unithroid,
L-thyroxine,
levothyroxine,
51-48-9,
thyroxine,
thyroxin,
Tetraiodothyronine,
Thyrax,
3,3',5,5'-Tetraiodo-L-thyronine,
Thyratabs,
Thyreoideum,
Thyroxinal,
synthroid,
Thyroxine iodine,
Levothyroxin,
(-)-Thyroxine,
L-Thyroxin,
3,5,3',5'-Tetraiodo-L-thyronine,
L-T4,
Thyroxine (l),
Levothyroxine sodium,
levothroid,
Levoxyl,
DL-Thyroxin,
t4,
Thyroxine (VAN),
eltroxin,
3,5,3',5'-Tetraiodothyronine,
Laevothyroxinum,
Tetramet,
T4 (Hormone),
Thyroxine I 125,
L-3,5,3',5'-Tetraiodothyronine,
Levothyroxinum (acid),
Laevothyroxinum (acid),
Thryroxine, l-,
O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine,
Forthyron (TN),
Synthroid sodium,
NSC 36397,
Levothyroxinum,
3,3',5,5''-Tetraiodo-L-thyronine,
CCRIS 6739,
Henning,
HSDB 3108,
3,5,3'5'-Tetraiodo-L-thyronine,
THX,
UNII-Q51BO43MG4,
Prestwick_548,
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-,
4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine,
CHEBI:18332,
O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine,
EINECS 200-101-1,
3-(4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)alanine,
beta-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine,
3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine,
BRN 2228515,
CHEMBL1624,
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine,
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid,
Q51BO43MG4,
UNII-7U4LEE5872,
XUIIKFGFIJCVMT-LBPRGKRZSA-N,
MFCD00002595,
C15H11I4NO4,
NCGC00164336-01,
CPD000059176,
L-Thyroxine, 97+%,
DSSTox_CID_3214,
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid,
DSSTox_RID_76927,
DSSTox_GSID_23214,
Thyroxine [BAN],
Eutirox,
Thyroxine, L-,
L-Thryoxin,
7U4LEE5872,
T4 levothyroxine,
(S)-2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid,
LT4,
SMR000059176,
T44,
Levothyroxine (BAN),
24486-40-6,
Levothyroxine [INN:BAN],
Synthroid (*Sodium salt*),
(125I)T4,
SR-01000759430,
2ceo,
CAS-51-48-9,
Levothyroxine Sodium (L-thyroxine),
AK-40208,
Thyroxine, labeled with iodine-125,
Spectrum_001076,
1hk1,
1hk2,
1hk3,
1hk4,
1hk5,
1y0x,
L-Thyroxine, free acid,
SpecPlus_000871,
Prestwick0_000403,
Prestwick1_000403,
Prestwick2_000403,
Prestwick3_000403,
Spectrum2_000573,
Spectrum3_000611,
Spectrum4_000128,
Spectrum5_001500,
Thyroxine, L- (8CI),
bmse000923,
Epitope ID:123889,
T-3850,
AC1L1L7K,
BIDD:PXR0161,
Levothroid (*Sodium salt*),
SCHEMBL23098,
BSPBio_000326,
BSPBio_002142,
KBioGR_000516,
KBioSS_001556,
MLS000028647,
MLS002548901,
DivK1c_006967,
SPECTRUM1500774,
SPBio_000386,
SPBio_002265,
BPBio1_000360,
GTPL2635,
DTXSID8023214,
CTK2H7538,
KBio1_001911,
KBio2_001556,
KBio2_004124,
KBio2_006692,
KBio3_001642,
KS-00000HDI,
HMS1569A08,
HMS1921I06,
HMS2090P18,
HMS2092K12,
HMS2096A08,
HMS2233J18,
HMS3259M11,
HMS3713A08,
L-Thyroxine, >=98% (HPLC),
Pharmakon1600-01500774,
ZINC3830993,
Tox21_112101,
Tox21_302156,
BDBM50301375,
CCG-38738,
CT-230,
GP9966,
NSC757434,
s2599,
AKOS015905129,
Tox21_112101_1,
AC-7504,
AM83594,
AN-8921,
CHM0030272,
CS-1819,
DB00451,
NC00485,
NSC-757434,
SDCCGMLS-0066571.P001,
2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid,
3,3'',5,5''-tetraiodo-L-thyronine,
3,5,3'',5''-tetraiodo-L-thyronine,
NCGC00094852-03,
NCGC00164336-02,
NCGC00164336-03,
NCGC00164336-05,
NCGC00164336-06,
NCGC00255368-01,
AC-10465,
AN-15421,
BC630681,
HY-18341,
SAM002264651,
SBI-0051608.P002,
AB0010528,
AB2000689,
AX8015809,
DB-006261,
LS-158291,
TR-031344,
FT-0600821,
ST24047479,
SW196731-3,
C01829,
D08125,
J10324,
AB00052176-08,
AB00052176_09,
AB00052176_10,
002T595,
SR-05000001567,
SR-01000759430-2,
SR-05000001567-1,
BRD-K30685142-001-05-5,
BRD-K30685142-001-08-9,
Thyroxine (T4), IRMM(R) certified Reference Material,
L-Thyroxine, powder, BioReagent, suitable for cell culture,
UNII-QR0BV3BRIA component XUIIKFGFIJCVMT-LBPRGKRZSA-N,
Levothyroxine, United States Pharmacopeia (USP) Reference Standard,
Levothyroxine, Pharmaceutical Secondary Standard; Certified Reference Material,
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, labeled with iodine-125,
L-Thyroxine (T4) solution, 100 mug/mL in methanol with 0.1N NH3, ampule of 1 mL, certified reference material,
Euthyrox,
Oroxine,
Levothyrox,
Novothyrox,
Thyroxevan,
Unithroid,
D-Thyroxine,
Laevoxin,
Levolet,
Berlthyrox,
Levoxine,
Levaxin,
Thevier,
Eferox,
Letter,
Levo-T,
Thyroxin sodium,
Thyroxine sodium,
null,
Thyro-Tabs,
Levoroxine,
Levothyroid,
Novothyral,
Thyronamin,
Thyroxinique,
Dathroid,
Eltroxine,
Forthyron,
Soloxine,
Synthrox,
Thyradin,
Thyrosit,
Tiroidina,
Tiroidine,
Tirosint,
Tyrosint,
Leventa,
Roxstan,
Tetroid,
Dexnon,
Sodium thyroxin,
Ro-thyroxine,
Armour Thyroid,
Guna-lympho,
Sodium thyroxine,
Tiroxina Leo,
L Thyroxine,
Thyradin S,
L Thyroxin beta,
L-Thyroxin beta,
Thyroxine sodique,
Sodium levothyroxine,
L Thyrox,
L-Thyrox,
Sodium thyroxinate,
Sodium l-thyroxin,
L Thyroxine Roche,
L-Thyroxine Roche,
Levotiroxina sodica,
Thyroxinum natricum,
Levo T,
Synthroid (TN),
L-Thyroxine sodium,
Sodium L-thyroxine,
Sodium-L-thyroxine,
levothyroxin natrium,
levothyroxinnatrium-,
Eltroxin (TN),
Euthyrox (TN),
L Thyroxin Henning,
L-Thyroxin Henning,
Levothyroxin-natrium,
Eutirox (TN),
Levaxin (TN),
Levoxyl (TN),
L-thyroxine (TN),
Levothyroxine sodique,
T4 Thyroid Hormone,
Thyrax (TN),
Thyrox (TN),
Levothyroxine [INN],
Levothyroxin Deladande,
Levothyroxin Delalande,
Levothyroxinum natricum,
Thyroid Hormone, T4,
L-Thyroxine sodium salt,
Thyroxine, L-(8CI),
silver(1+) sulfadiazinate,
Thyroxine I 125 [USAN],
D06RGG,
Levothroid (*Sodiumsalt*),
l-Thyroxine monosodium salt,
Levothyroxine sodium hydrate,
Levothyroxine sodium tablets,
UNII-054I36CPMN,
Levothyroxine Sodium [USAN],
Levothyroxine sodium anhydrous,
C15H11I4NO4.Na,
levothyroxine sodium pentahydrate,
CID5819,
L-Thyroxine, 98% - 1G 1g,
Levothyroxine Sodium [USAN:INN],
Levotiroxina sodica [INN-Spanish],
Levothyroxine sodique [INN-French],
C15-H11-I4-N-O4.Na,
EINECS 200-221-4,
Levothyroxinum natricum [INN-Latin],
3,3',5,5"-Tetraiodo-L-thyronine,
C15-H11-I4-N-O4,
ACN-034091,
CS-O-01770,
NSC 259940,
B2107,
LT00440967,
4-14-00-02373 (Beilstein Handbook Reference),
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-,
A11669,
3,3',5,5'-Tetraiodo-L-thyronine, sodium salt,
D013974,
O-(4-Hydroxy-3,5-diiodophenyl) 3,5-diiodo-L-tyrosine,
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- (9CI),
(-)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]alanine,
51-49-0,
55-03-8,
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, monosodium salt,
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid,
L-Tirosina, O-(4-hidroxi-3,5-diiodofenil)-3,5-diiodo-, sal de sodio (1:1),
22199-08-2,
6106-07-6,
7019-69-4,
7488-70-2,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 776.687g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 776.874g/mol |
| Monoisotopic Mass | 776.687g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
| Symbol: | |
| Hazard Class | \N |
| Hazard statements | H315-H319-H335 |
| Packing Group | \N |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

