Levothyroxine Methyl Ester

CAT: 1299-RM-L202409-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L202409-02Size:25 mg

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CAS Number

32180-11-3

Synonyms

Methyl 2-amino-3- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodo phenyl) propanoate

Molecular Formula

C16H13I4NO4

Molecular Weight

790.9

Target Alternative Name

Levothyroxine

Product Name Synonym

Methyl 2-amino-3- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodo phenyl) propanoate

Chemical Information

Methyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate

CAS Number	32180-11-3
PubChem CID	13911218
IUPAC Name	methyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
Molecular Formula	C16H13I4NO4
Molecular Weight	790.90
XLogP	5
Topological Polar Surface Area	81.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	434

SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N

InChI

InChI=1S/C16H13I4NO4/c1-24-16(23)13(21)4-7-2-11(19)15(12(20)3-7)25-8-5-9(17)14(22)10(18)6-8/h2-3,5-6,13,22H,4,21H2,1H3/t13-/m0/s1

InChIKey

ZTSGDCMQRKBJKC-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 32180-11-3

CID: 13911218

Formula: C16H13I4NO4

MW: 790.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	790.90
XLogP3	5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	790.7023
Monoisotopic Mass	790.7023
Topological Polar Surface Area	81.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	434
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-L202408-01	Levothyroxine Ethyl Ester
RM-L202416-01	Levothyroxine Lactose Adduct
RM-L202420-01	Levothyroxine Impurity 20
RM-L202418-01	Levothyroxine Impurity 18
RM-L202444-01	Levothyroxine Impurity 44
RM-L202437-01	Levothyroxine Impurity 37
RM-L202422-01	Levothyroxine Impurity 22
RM-L202434-01	Levothyroxine Impurity 34
RM-L202439-01	Levothyroxine Impurity 39
RM-L202435-01	Levothyroxine Impurity 35

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