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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33N3O11
Molecular Weight 527.5216
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINE

SMILES

CCOC1=CC=C(C[C@@H](CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)C=C1

InChI

InChIKey=AQOXEJNYXXLRQQ-KRWDZBQOSA-N
InChI=1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1

HIDE SMILES / InChI
Molecular Formula C23H33N3O11
Molecular Weight 527.5216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Caloxetate Trisodium is triazaundecanedioic acid derivative patented by German pharmaceutical company as liver-specific magnetic resonance imaging contrast agent.

Originator

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Synthesis and Physicochemical Characterization of a New Gadolinium Chelate: The Liver-Specific Magnetic Resonance Imaging Contrast Agent Gd-EOB-DTPA.
1999-03-22
Patents

Patents

CN1124731
3
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:18:19 GMT 2025
Edited
by admin
on Mon Mar 31 18:18:19 GMT 2025
Record UNII
385H9E7854
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EOB-DTPA
Preferred Name English
N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINE
Systematic Name English
GLYCINE, N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-
Systematic Name English
GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
385H9E7854
Created by admin on Mon Mar 31 18:18:19 GMT 2025 , Edited by admin on Mon Mar 31 18:18:19 GMT 2025
PRIMARY
CAS
158599-72-5
Created by admin on Mon Mar 31 18:18:19 GMT 2025 , Edited by admin on Mon Mar 31 18:18:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID80166471
Created by admin on Mon Mar 31 18:18:19 GMT 2025 , Edited by admin on Mon Mar 31 18:18:19 GMT 2025
PRIMARY
PUBCHEM
219085
Created by admin on Mon Mar 31 18:18:19 GMT 2025 , Edited by admin on Mon Mar 31 18:18:19 GMT 2025
PRIMARY
NIH
NCATS
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