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Details

Stereochemistry RACEMIC
Molecular Formula C18H31N4O9.Gd
Molecular Weight 604.71
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOBUTROL

SMILES

[Gd+3].OC[C@@H](O)[C@@H](CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1

InChI

InChIKey=ZPDFIIGFYAHNSK-CTHHTMFSSA-K
InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m1./s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
GADOBUTROL
DASH   INN   JAN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
gadobutrol [INN]
Common Name English
GADOBUTROL [USP-RS]
Common Name English
GADOBUTROL [USAN]
Common Name English
PROTOVIST
Brand Name English
GADOBUTROL [USP MONOGRAPH]
Common Name English
GADOVIST
Common Name English
GADOBUTROL [JAN]
Common Name English
ZK 135079
Code English
ZK-135079
Code English
GADOBUTROL [ORANGE BOOK]
Common Name English
GADOLINIUM, (10-(2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATO(3-)-N1,N4,N7,N10,O1,O4,O7)-
Systematic Name English
GADOBUTROL [VANDF]
Common Name English
(10-((1RS,2SR)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETATO(3-)GADOLINIUM
Common Name English
BAY86-4875
Code English
Gadobutrol [WHO-DD]
Common Name English
GADOBUTROL [MI]
Common Name English
GADOGRAF
Brand Name English
GADAVIST
Brand Name English
GADOBUTROL [MART.]
Common Name English
Classification Tree Code System Code
NDF-RT N0000183362
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
WHO-ATC V08CA09
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
WHO-VATC QV08CA09
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
NCI_THESAURUS C62358
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
Code System Code Type Description
DAILYMED
1BJ477IO2L
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
DRUG CENTRAL
4179
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
RXCUI
84990
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY RxNorm
CHEBI
68841
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
MERCK INDEX
m5623
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C70675
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
EVMPD
SUB07861MIG
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
LACTMED
Gadobutrol
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
PUBCHEM
6102852
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID101027434
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
CAS
138071-82-6
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
SUPERSEDED
CAS
770691-21-9
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL2218860
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
MESH
C090600
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
RS_ITEM_NUM
1287449
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
WIKIPEDIA
GADOBUTROL
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
USAN
XX-91
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
DRUG BANK
DB06703
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
FDA UNII
1BJ477IO2L
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
HSDB
8231
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
SMS_ID
100000092300
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
INN
6882
Created by admin on Fri Dec 15 16:58:59 UTC 2023 , Edited by admin on Fri Dec 15 16:58:59 UTC 2023
PRIMARY
SALT/SOLVATE (PARENT)
Structure of GADOBUTROL MONOHYDRATE
SUBSTANCE RECORD
Structure of GADOBUTROL
NIH
NCATS
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