3,6,9-TRIS(CARBOXYMETHYL)-18-HYDROXY-11-OXO-15-THIA-3,6,9,12-TETRAAZAOCTADECANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H34N4O10S
Molecular Weight	510.559
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,6,9-TRIS(CARBOXYMETHYL)-18-HYDROXY-11-OXO-15-THIA-3,6,9,12-TETRAAZAOCTADECANOIC ACID

Structure Search

SMILES

OCCCSCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O

InChI

InChIKey=KAMFTXFUZGZHNE-UHFFFAOYSA-N

InChI=1S/C19H34N4O10S/c24-7-1-8-34-9-2-20-15(25)10-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)14-19(32)33/h24H,1-14H2,(H,20,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)

HIDE SMILES / InChI

Molecular Formula	C19H34N4O10S
Molecular Weight	510.559
Charge	0
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 `Tue Apr 01 20:40:45 GMT 2025` Edited by `admin` on `Tue Apr 01 20:40:45 GMT 2025`
Record UNII	CCV22NN8DI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2-(2-(3-HYDROXYPROPYLSULFANYL)ETHYLAMINO)-2-OXO-ETHYL)DTPA

Preferred Name

English

3,6,9-TRIS(CARBOXYMETHYL)-18-HYDROXY-11-OXO-15-THIA-3,6,9,12-TETRAAZAOCTADECANOIC ACID

Systematic Name

English

15-THIA-3,6,9,12-TETRAAZAOCTADECANOIC ACID, 3,6,9-TRIS(CARBOXYMETHYL)-18-HYDROXY-11-OXO-

Systematic Name

English

(2-(2-(3-HYDROXYPROPYLSULFANYL)ETHYLAMINO)-2-OXO-ETHYL)DIETHYLENETRIAMINEPENTAACETIC ACID

Systematic Name

English

Code System Code Type Description

CAS

1185986-74-6

Created by admin on Tue Apr 01 20:40:45 GMT 2025 , Edited by admin on Tue Apr 01 20:40:45 GMT 2025

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EPA CompTox

DTXSID401026942

Created by admin on Tue Apr 01 20:40:45 GMT 2025 , Edited by admin on Tue Apr 01 20:40:45 GMT 2025

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FDA UNII

CCV22NN8DI

Created by admin on Tue Apr 01 20:40:45 GMT 2025 , Edited by admin on Tue Apr 01 20:40:45 GMT 2025

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PUBCHEM

124081839

Created by admin on Tue Apr 01 20:40:45 GMT 2025 , Edited by admin on Tue Apr 01 20:40:45 GMT 2025

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