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Details

Stereochemistry RACEMIC
Molecular Formula C22H28N4O10S
Molecular Weight 540.544
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of P-SCN-BENZYL-DTPA

SMILES

OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(CC1=CC=C(C=C1)N=C=S)N(CC(O)=O)CC(O)=O

InChI

InChIKey=VAOYPHGXHKUTHC-UHFFFAOYSA-N
InChI=1S/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)

HIDE SMILES / InChI

Approval Year

Name Type Language
P-SCN-BENZYL-DTPA
Common Name English
1-(P-ISOTHIOCYANATE BENZYL)DIETHYLENETRIAMINE PENTAACETIC ACID
Systematic Name English
GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-
Systematic Name English
CITC-DTPA, (±)-
Common Name English
CITC-DTPA
Common Name English
Code System Code Type Description
FDA UNII
2AB2W7T690
Created by admin on Fri Dec 15 16:04:52 GMT 2023 , Edited by admin on Fri Dec 15 16:04:52 GMT 2023
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CAS
121806-83-5
Created by admin on Fri Dec 15 16:04:52 GMT 2023 , Edited by admin on Fri Dec 15 16:04:52 GMT 2023
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PUBCHEM
10143607
Created by admin on Fri Dec 15 16:04:52 GMT 2023 , Edited by admin on Fri Dec 15 16:04:52 GMT 2023
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