GADOBENATE DIMEGLUMINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H26N3O11.2C7H17NO5.Gd.2H
Molecular Weight	1058.15
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0
Stereo Comments	Gadobenic acid is assumed racemic and Meglumine chiral

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H+].[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)C(COCC1=CC=CC=C1)C([O-])=O

InChI

InChIKey=OCDAWJYGVOLXGZ-VPVMAENOSA-K

InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1

HIDE SMILES / InChI

Molecular Formula	Gd
Molecular Weight	157.25
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H17NO5
Molecular Weight	195.2136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C22H26N3O11
Molecular Weight	508.4553
Charge	-5
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
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 `Fri Dec 15 15:43:55 UTC 2023` Edited by `admin` on `Fri Dec 15 15:43:55 UTC 2023`
Record UNII	3Q6PPC19PO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADOBENATE DIMEGLUMINE

Official Name

English

GADOBENATE DIMEGLUMINE [USAN]

Common Name

English

GADOBENIC ACID (AS MEGLUMINE GADOBENATE)

Common Name

English

B-19036/7

Code

English

MULTIHANCE

Brand Name

English

GADOBENOATE DIMEGLUMINE [VANDF]

Common Name

English

GADOBENATE DIMEGLUMINE [MI]

Common Name

English

Gadobenic acid meglumine [WHO-DD]

Common Name

English

D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, (4-CARBOXY-5,8,11-TRIS(CARBOXYMETHYL)-1-PHENYL-2-OXA-5,8,11-TRIAZATRIDECAN-13- OATO(5-)-N(SUP 5),N(SUP 8),N(SUP 11),O(SUP 4),O(SUP 5),O(SUP 8), O(SUP 11),O(SUP 13)-GADOLINATE(2-) (2:1)

Common Name

English

DIHYDROGEN ((±)-4-CARBOXY-5,8,11-TRIS(CARBOXYMETHYL)-1-PHENYL-2-OXA-5,8,11-TRIAZATRIDECAN-13-OATO(5-))GADOLINATE(2-), COMPOUND WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:2)

Common Name

English

GADOBENIC ACID MEGLUMINE

Common Name

English

GADOBENATE DIMEGLUMINE [VANDF]

Common Name

English

GADOBENATE DIMEGLUMINE [ORANGE BOOK]

Common Name

English

MEGLUMINE GADOBENATE [MART.]

Common Name

English

MEGLUMINE GADOBENATE [JAN]

Common Name

English

GADOBENATE DIMEGLUMINE [HSDB]

Common Name

English

B19036/7

Code

English

MEGLUMINE GADOBENATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62358