N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ETHOXYPHENYL)PROPYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINE

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

Structure Search

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
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=1&ND=3&adjacent=true&locale=en_EP&FT=D&date=19960619&CC=CN&NR=1124731A&KC=A | https://www.ncbi.nlm.nih.gov/pubmed/11670895

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

Originator

Approval Year

PubMed

Title	Date	PubMed
Synthesis and Physicochemical Characterization of a New Gadolinium Chelate: The Liver-Specific Magnetic Resonance Imaging Contrast Agent Gd-EOB-DTPA.	1999 Mar 22	11670895

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:04:37 GMT 2023` Edited by `admin` on `Fri Dec 15 16:04:37 GMT 2023`
Record UNII	385H9E7854
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

EOB-DTPA

Common 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 Fri Dec 15 16:04:37 GMT 2023 , Edited by admin on Fri Dec 15 16:04:37 GMT 2023

PRIMARY

CAS

158599-72-5

Created by admin on Fri Dec 15 16:04:37 GMT 2023 , Edited by admin on Fri Dec 15 16:04:37 GMT 2023

PRIMARY

EPA CompTox

DTXSID80166471

Created by admin on Fri Dec 15 16:04:37 GMT 2023 , Edited by admin on Fri Dec 15 16:04:37 GMT 2023

PRIMARY

PUBCHEM

219085

Created by admin on Fri Dec 15 16:04:37 GMT 2023 , Edited by admin on Fri Dec 15 16:04:37 GMT 2023

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=1&ND=3&adjacent=true&locale=en_EP&FT=D&date=19960619&CC=CN&NR=1124731A&KC=A | https://www.ncbi.nlm.nih.gov/pubmed/11670895

Originator

Approval Year

PubMed

Patents

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=1&ND=3&adjacent=true&locale=en_EP&FT=D&date=19960619&CC=CN&NR=1124731A&KC=A | https://www.ncbi.nlm.nih.gov/pubmed/11670895