10-[2-[(Cyclohexylmethyl)amino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H41N5O7
Molecular Weight	499.6009
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 10-[2-[(Cyclohexylmethyl)amino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Structure Search

SMILES

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCC2CCCCC2)CCN(CC(O)=O)CC1

InChI

InChIKey=MDSHFQDEKAHRFN-UHFFFAOYSA-N

InChI=1S/C23H41N5O7/c29-20(24-14-19-4-2-1-3-5-19)15-25-6-8-26(16-21(30)31)10-12-28(18-23(34)35)13-11-27(9-7-25)17-22(32)33/h19H,1-18H2,(H,24,29)(H,30,31)(H,32,33)(H,34,35)

HIDE SMILES / InChI

Molecular Formula	C23H41N5O7
Molecular Weight	499.6009
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 `Wed Apr 02 21:09:41 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:41 GMT 2025`
Record UNII	5MB4M5W6ZY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-[2-[(Cyclohexylmethyl)amino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Systematic Name

English

Gadosircoclamide non-labeled

Preferred Name

English

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[(cyclohexylmethyl)amino]-2-oxoethyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

5MB4M5W6ZY

Created by admin on Wed Apr 02 21:09:41 GMT 2025 , Edited by admin on Wed Apr 02 21:09:41 GMT 2025

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PUBCHEM

122696461

Created by admin on Wed Apr 02 21:09:41 GMT 2025 , Edited by admin on Wed Apr 02 21:09:41 GMT 2025

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CAS

1801159-72-7

Created by admin on Wed Apr 02 21:09:41 GMT 2025 , Edited by admin on Wed Apr 02 21:09:41 GMT 2025

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Gadosircoclamide

LABELED -> NON-LABELED

Amount: