GADOBUTROL

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National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Molecular Formula	C18H31N4O9
Molecular Weight	447.4601
Charge	-3
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:58:59 UTC 2023` Edited by `admin` on `Fri Dec 15 16:58:59 UTC 2023`
Record UNII	1BJ477IO2L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADOBUTROL

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

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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

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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

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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

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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

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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

Related Record Type Details


					1BJ477IO2L

EXCRETED UNCHANGED

Comments:

The urinary excretion of gadolinium was almost completed after 12 h post injection with a mean recovery between 90.4–99.3 % of the administered gadolinium dose.

Qualification:

URINE

Amount:


					A84BDC25NG

GADOBUTROL MONOHYDRATE

SOLVATE->ANHYDROUS

Amount:


					A84BDC25NG

GADOBUTROL MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					AZV954TZ9N

GADOLINIUM CATION (3+)

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				a single intravenous administration of gadovist 1.0 M