AG0037Q0

51-24-1 | 3,3',5-Triiodothyroacetic acid

AG0037Q0

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CAS Number	51-24-1
Catalog Number	AG0037Q0(AGN-PC-0JK7DP)
Chemical Name	3,3',5-Triiodothyroacetic acid
EC Number	200-086-1
IUPAC Name	2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
InChI	InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
InChI Key	UOWZUVNAGUAEQC-UHFFFAOYSA-N
MDL Number	MFCD00055931
Molecular Formula	C14H9I3O4
Molecular Weight	621.9323
NSC Number	759294
SMILES	OC1=C(C=C(OC2=C(C=C(C=C2I)CC(=O)O)I)C=C1)I
UNII	29OQ9EU4R1
Synonyms	3,3',5-triiodothyroacetic acid, 3,3',5-triiodothyroacetic acid, sodium salt, 3,5,3'-triiodothyroacetic acid, 3,5-diiodo-3'-isopropylthyroacetic acid, Téatrois, tiratricol, Triac, Triacana, Tiratricol, 51-24-1, Triac, 3,3',5-TRIIODOTHYROACETIC ACID, Triacana, Tiratricolum, Triiodothyroacetic acid, 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid, UNII-29OQ9EU4R1, Tiratricol [INN], 3',3,5-Triiodothyroacetic acid, CHEMBL41632, 29OQ9EU4R1, Tiratricol (INN), MFCD00055931, CAS-51-24-1, NCGC00016227-01, Teatrois, Benzeneacetic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-, Tiratricol, 3,3',5-triiodothyroacetic acid, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID, DSSTox_CID_25232, DSSTox_RID_80767, DSSTox_GSID_45232, 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylacetic acid, [4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid, 2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]acetic acid, 4HY, SMR000058684, SR-01000003135, Tiratricolum [INN-Latin], (4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)acetic acid, 2-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)acetic acid, C14H9I3O4, Tiracana (TN), Prestwick_439, EINECS 200-086-1, 1nq0, Levothyroxine Impurity C, Prestwick0_000202, Prestwick1_000202, Prestwick2_000202, Prestwick3_000202, Triiodothyroacetic acid, 3, REGID_for_CID_5803, SCHEMBL25149, BSPBio_000183, MLS000028613, MLS006010657, SPBio_002104, 3,3,5-triiodothyroacetic acid, AC1L1L68, BPBio1_000203, GTPL2637, DTXSID2045232, BDBM18862, CTK8F4764, 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodobenzeneacetic acid, 3,3',5'-Triiodothyroacetic acid, HMS1568J05, HMS2095J05, HMS3264A05, HMS3652J07, HMS3712J05, Pharmakon1600-01506047, 3,3',5-Triiodo Thyroacetic Acid, BCP07182, HY-B1201, ZINC4217580, Tox21_110317, Tox21_303544, NSC759294, s4185, AKOS015951178, API0004430, CCG-213970, CS-4829, DB03604, NSC-759294, KS-0000196U, NCGC00016227-02, NCGC00016227-03, NCGC00016227-04, NCGC00016227-05, NCGC00016227-08, NCGC00257371-01, AN-41594, AS-15930, R418, 3,3',5-Triiodothyroacetic acid, >=90%, SBI-0207015.P001, 3,3',5-Triiodothyroacetic acid, free acid, AB1008568, FT-0675568, SW196661-4, D07214, 055T931, SR-01000003135-2, SR-01000003135-3, BRD-K61236135-001-03-3, [4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic Acid (Triiodothyroacetic Acid), tiratricol-, D0J6XC, Levothyroxine EP Impurity C, 3,5,3'-triiodothyroacetic acid, CID5803, C14-H9-I3-O4, 3,3',5-TRIIODOTHYROACETICACID, CS-T-45488, 3,5-diiodo-3'-isopropylthyroacetic acid, B1855, 3,3',5-triiodothyroacetic acid, sodium salt, C010642,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	621.763g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	621.935g/mol
Monoisotopic Mass	621.763g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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