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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N3O10.Gd.2H
Molecular Weight 547.57
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOPENTETIC ACID

SMILES

[H+].[H+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

InChI

InChIKey=IZOOGPBRAOKZFK-UHFFFAOYSA-K
InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3

HIDE SMILES / InChI
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
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 C14H18N3O10
Molecular Weight 388.3068
Charge -5
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:12:28 UTC 2023
Edited
by admin
on Fri Dec 15 16:12:28 UTC 2023
Record UNII
K2I13DR72L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GADOPENTETIC ACID
INN   MART.   MI   WHO-DD  
INN  
Official Name English
GADOPENTETIC ACID [MI]
Common Name English
gadopentetic acid [INN]
Common Name English
GADOPENTETIC ACID [MART.]
Common Name English
Gadopentetic acid [WHO-DD]
Common Name English
MEGLUMINE GADOPENTETATE [JAN]
Common Name English
GADODIAMIDE HYDRATE IMPURITY B [EP IMPURITY]
Common Name English
Classification Tree Code System Code
WHO-VATC QV08CA01
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
NDF-RT N0000180184
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
NCI_THESAURUS C62358
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
WHO-ATC V08CA01
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
NDF-RT N0000175862
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
Code System Code Type Description
WIKIPEDIA
GADOPENTETIC ACID
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
SMS_ID
100000085029
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
NCI_THESAURUS
C87737
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
MERCK INDEX
m5627
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00789
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
INN
5396
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL1200431
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
PUBCHEM
157429
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID701001301
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
CAS
80529-93-7
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
EVMPD
SUB07864MIG
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
FDA UNII
K2I13DR72L
Created by admin on Fri Dec 15 16:12:28 UTC 2023 , Edited by admin on Fri Dec 15 16:12:28 UTC 2023
PRIMARY
Related Record Type Details
Structure of PENTETIC ACID
PARENT -> SALT/SOLVATE
Structure of GADOLINIUM CATION (3+)
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of GADODIAMIDE HYDRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of GADOLINIUM CATION (3+)
ACTIVE MOIETY
NIH
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