O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-D-TYROSINE DISODIUM HEXAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H12I3NO4.2Na.6H2O
Molecular Weight	817.0554
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-D-TYROSINE DISODIUM HEXAHYDRATE

Structure Search

SMILES

O.O.O.O.O.O.[Na+].[Na+].C[C@@](N)(CC1=CC(I)=C(OC2=CC=C([O-])C(I)=C2)C(I)=C1)C([O-])=O

InChI

InChIKey=QNCPRZLREALVBE-GVORHBCJSA-L

InChI=1S/C16H14I3NO4.2Na.6H2O/c1-16(20,15(22)23)7-8-4-11(18)14(12(19)5-8)24-9-2-3-13(21)10(17)6-9;;;;;;;;/h2-6,21H,7,20H2,1H3,(H,22,23);;;6*1H2/q;2*+1;;;;;;/p-2/t16-;;;;;;;;/m1......../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C16H14I3NO4
Molecular Weight	665.0001
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:45:35 GMT 2025` Edited by `admin` on `Mon Mar 31 17:45:35 GMT 2025`
Record UNII	M5R76DR5IM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-(4-HYDROXY-3-IODOPHENOXY)-3,5-DIIODOPHENYL)2-METHYLALANINE DISODIUM HEXAHYDRATE, D-

Preferred Name

English

O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-D-TYROSINE DISODIUM HEXAHYDRATE

Systematic Name

English

DISODIUM 2-AMINO-3-(3,5-DIIODO-4-(3-IODO-4-OXIDOPHENOXY)PHENYL)-2-METHYLPROPANOATE HEXAHYDRATE, (2R)-

Systematic Name

English

ALANINE, 3-(4-(4-HYDROXY-3-IODOPHENOXY)-3,5-DIIODOPHENYL)-2-METHYL-, DISODIUM SALT, HEXAHYDRATE, D-

Systematic Name

English

D-TYROSINE, O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-, DISODIUM SALT, HEXAHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

M5R76DR5IM

Created by admin on Mon Mar 31 17:45:35 GMT 2025 , Edited by admin on Mon Mar 31 17:45:35 GMT 2025

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CAS

22189-29-3

Created by admin on Mon Mar 31 17:45:35 GMT 2025 , Edited by admin on Mon Mar 31 17:45:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID60274902

Created by admin on Mon Mar 31 17:45:35 GMT 2025 , Edited by admin on Mon Mar 31 17:45:35 GMT 2025

PRIMARY

PUBCHEM

133082176

Created by admin on Mon Mar 31 17:45:35 GMT 2025 , Edited by admin on Mon Mar 31 17:45:35 GMT 2025

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O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-D-TYROSINE

PARENT -> SALT/SOLVATE