CALCIUM 3-IODO-L-TYROSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C8H7INO3.Ca
Molecular Weight	624.179
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].N[C@H](C([O-])=O)C1=CC(I)=C(O)C=C1.N[C@H](C([O-])=O)C2=CC(I)=C(O)C=C2

InChI

InChIKey=LBPIOPZRLWTGRQ-UBKPKTQASA-L

InChI=1S/2C8H8INO3.Ca/c2*9-5-3-4(1-2-6(5)11)7(10)8(12)13;/h2*1-3,7,11H,10H2,(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C8H7INO3
Molecular Weight	292.0506
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 17:56:38 GMT 2025` Edited by `admin` on `Mon Mar 31 17:56:38 GMT 2025`
Record UNII	FFG5D2B36E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM 3-IODO-L-TYROSINE

Systematic Name

English

L-TYROSINE, 3-IODO-, CALCIUM SALT

Preferred Name

English

3-IODO-L-TYROSINE CALCIUM

Systematic Name

English

TYROSINE, 3-IODO-, CALCIUM SALT, L-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50703731

Created by admin on Mon Mar 31 17:56:38 GMT 2025 , Edited by admin on Mon Mar 31 17:56:38 GMT 2025

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PUBCHEM

119026185

Created by admin on Mon Mar 31 17:56:38 GMT 2025 , Edited by admin on Mon Mar 31 17:56:38 GMT 2025

PRIMARY

FDA UNII

FFG5D2B36E

Created by admin on Mon Mar 31 17:56:38 GMT 2025 , Edited by admin on Mon Mar 31 17:56:38 GMT 2025

PRIMARY

CAS

7681-60-9

Created by admin on Mon Mar 31 17:56:38 GMT 2025 , Edited by admin on Mon Mar 31 17:56:38 GMT 2025

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