AG0032CC

4604-41-5 | 3,3'-Diiodo-L-thyronine

AG0032CC

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CAS Number	4604-41-5
Catalog Number	AG0032CC(AGN-PC-0OAJ13)
Chemical Name	3,3'-Diiodo-L-thyronine
EC Number	225-005-7
IUPAC Name	(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid
InChI	InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1
InChI Key	CPCJBZABTUOGNM-LBPRGKRZSA-N
MDL Number	MFCD01863378
Molecular Formula	C15H13I2NO4
Molecular Weight	525.0770
SMILES	N[C@H](C(=O)O)CC1=CC(=C(C=C1)OC1=CC(=C(C=C1)O)I)I
UNII	3L9U2Z4602
Synonyms	3,3'-diiodothyronine, 3,3'-diiodothyronine, (DL)-isomer, 3,3'-diiodothyronine, (L)-isomer, 3,3'-diiodothyronine, (L)-isomer, 125I-labeled, 3,3'-T2, 3,3'-Diiodo-L-thyronine, 4604-41-5, O-(4-Hydroxy-3-iodophenyl)-3-iodo-L-tyrosine, 3,3'-DEIODO-THYROXINE, 3,3'-Diiodothyronine, L-, 3,3'-Diiodothyronine, UNII-3L9U2Z4602, L-3,3'-Diiodothyronine, CHEMBL1236140, CHEBI:45698, (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid, MFCD01863378, 3L9U2Z4602, Tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-, (S)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl)propanoic acid, 3,3'-T2, EINECS 225-005-7, AC1L32DA, 3,3\'-diiodo-L-thyronine, 3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-L-alanine, SCHEMBL935895, CTK2H8121, DTXSID80196697, CPCJBZABTUOGNM-LBPRGKRZSA-N, 6334AB, ANW-53144, BDBM50431469, ZINC16051523, AKOS015918402, CD-1579, AK-68197, SC-43579, AX8211594, TC-141889, FT-0658319, ST24028160, 3,3'-Diiodo-L-thyronine (T2), 98% (CP), 604D415, A826975, L-tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-, I14-8104, Levothyroxine Impurity J (3,3'-L-Diiodothyronine), 3,3 inverted exclamation marka-Diiodo-L-thyronine (T2), L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo- (9CI), Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-, L- (8CI), (2S)-2-azanyl-3-[3-iodanyl-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid, C15H13I2NO4, 3,3/'-Diiodothyronine, L-, CHEBI:35429, C15-H13-I2-N-O4, CID107564, 70-40-6, T33, T2,

Complexity	385
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	524.893g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	525.081g/mol
Monoisotopic Mass	524.893g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

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