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Details

Stereochemistry RACEMIC
Molecular Formula C9H10I2N2O2.ClH
Molecular Weight 468.458
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-3-(5-AMINO-2,4-DIIODOPHENYL)PROPANOIC ACID HYDROCHLORIDE

SMILES

Cl.NC(CC(O)=O)C1=C(I)C=C(I)C(N)=C1

InChI

InChIKey=JGTLCTNOQFYVCM-UHFFFAOYSA-N
InChI=1S/C9H10I2N2O2.ClH/c10-5-2-6(11)8(13)1-4(5)7(12)3-9(14)15;/h1-2,7H,3,12-13H2,(H,14,15);1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-AMINO-3-(5-AMINO-2,4-DIIODOPHENYL)PROPANOIC ACID HYDROCHLORIDE
Systematic Name English
BENZENEPROPANOIC ACID, .BETA.,5-DIAMINO-2,4-DIIODO-, HYDROCHLORIDE (1:1)
Preferred Name English
BENZENEPROPANOIC ACID, .BETA.,5-DIAMINO-2,4-DIIODO-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
4I1TWA1KHO
Created by admin on Tue Apr 01 16:21:04 GMT 2025 , Edited by admin on Tue Apr 01 16:21:04 GMT 2025
PRIMARY
CAS
179953-94-7
Created by admin on Tue Apr 01 16:21:04 GMT 2025 , Edited by admin on Tue Apr 01 16:21:04 GMT 2025
PRIMARY
PUBCHEM
92135656
Created by admin on Tue Apr 01 16:21:04 GMT 2025 , Edited by admin on Tue Apr 01 16:21:04 GMT 2025
PRIMARY
NIH
NCATS
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