MOTEXAFIN GADOLINIUM ANHYDROUS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C48H66N5O10.2C2H3O2.Gd
Molecular Weight	1148.4
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MOTEXAFIN GADOLINIUM ANHYDROUS

Structure Search

SMILES

[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(C=C3N=C(\C=N\C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C5=NC(=C2)C(CCCO)=C5C)C(C)=C3CCCO)=C1CC

InChI

InChIKey=VAZLWPAHMORDGR-WRIGXHCHSA-L

InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;

HIDE SMILES / InChI

Molecular Formula	C2H3O2
Molecular Weight	59.044
Charge	-1
Count

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

Molecular Formula	C48H68N5O10
Molecular Weight	875.081
Charge	-1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 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 `Sat Dec 16 09:00:41 UTC 2023` Edited by `admin` on `Sat Dec 16 09:00:41 UTC 2023`
Record UNII	0BG5NE3APZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOTEXAFIN GADOLINIUM ANHYDROUS

Common Name

English

PCI-0120

Code

English

MOTEXAFIN GADOLINIUM [MI]

Common Name

English

XCYTRIN

Brand Name

English

Code System Code Type Description

CAS

246252-06-2